(11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine

Catalog Number	ACM850796155
CAS	850796-15-5
Structure
Synonyms	Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine, N,N-bis[(1S)-1-(4-methoxyphenyl)ethyl]-, (11bS)-
IUPAC Name	N,N-bis[(1S)-1-(4-methoxyphenyl)ethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine
Molecular Weight	599.65
Molecular Formula	C38H34NO4P
InChI	WZONQGCZSGKCCW-UIOOFZCWSA-N
InChI Key	InChI=1S/C38H34NO4P/c1-25(27-13-19-31(40-3)20-14-27)39(26(2)28-15-21-32(41-4)22-16-28)44-42-35-23-17-29-9-5-7-11-33(29)37(35)38-34-12-8-6-10-30(34)18-24-36(38)43-44/h5-26H,1-4H3/t25-,26-/m0/s1
Boiling Point	760.0±70.0 °C(Predicted)
Purity	95%
Isomeric SMILES	C[C@@H](C1=CC=C(C=C1)OC)N([C@@H](C)C2=CC=C(C=C2)OC)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76
pKa	-0.22±0.20(Predicted)

Q&A

What is the IUPAC name of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The IUPAC name of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is N,N-bis[(1S)-1-(4-methoxyphenyl)ethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-amine.

What is the molecular formula of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular formula of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is C38H34NO4P.

What is the canonical SMILES representation of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The canonical SMILES representation of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is CC(C1=CC=C(C=C1)OC)N(C(C)C2=CC=C(C=C2)OC)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76.

What is the exact mass of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The exact mass of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 599.22254556.

How many heavy atoms are present in (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 44 heavy atoms present in (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine.

What is the topological polar surface area of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The topological polar surface area of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 48.

How many rotatable bonds are present in (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 7 rotatable bonds present in (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine.

What is the XLogP3 value of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The XLogP3 value of (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 9.8.

What is the computed property of the Covalently-Bonded Unit Count for (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The computed property of the Covalently-Bonded Unit Count for (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine is 1.

What are some depositor-supplied synonyms for (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

Some depositor-supplied synonyms for (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine containing (11bS)-N,N-Bis[(1S)-1-(4-methoxyphenyl)ethyl]-dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine are 850796-15-5, AKOS040767215, CS-0179835, E75523, and MFCD33022464.