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

Catalog Number	ACM342813267
CAS	342813-26-7
Synonyms	N,N-Bis[(1S)-1-naphthalen-1-ylethyl]-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
IUPAC Name	N,N-bis[(1S)-1-naphthalen-1-ylethyl]-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	639.72
Molecular Formula	C44H34NO2P
InChI	KEIZMADKDYGTFM-KYJUHHDHSA-N
InChI Key	InChI=1S/C44H34NO2P/c1-29(35-23-11-17-31-13-3-7-19-37(31)35)45(30(2)36-24-12-18-32-14-4-8-20-38(32)36)48-46-41-27-25-33-15-5-9-21-39(33)43(41)44-40-22-10-6-16-34(40)26-28-42(44)47-48/h3-30H,1-2H3/t29-,30-/m0/s1
Purity	95%
Isomeric SMILES	C[C@@H](C1=CC=CC2=CC=CC=C21)N([C@@H](C)C3=CC=CC4=CC=CC=C43)P5OC6=C(C7=CC=CC=C7C=C6)C8=C(O5)C=CC9=CC=CC=C98
pKa	-0.57±0.20(Predicted)

Q&A

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

N,N-bis[(1S)-1-naphthalen-1-ylethyl]-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 Canonical SMILES of 11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

CC(C1=CC=CC2=CC=CC=C21)N(C(C)C3=CC=CC4=CC=CC=C43)P5OC6=C(C7=CC=CC=C7C=C6)C8=C(O5)C=CC9=CC=CC=C98

How many hydrogen bond acceptors does 11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine have?

3

What is the computed value for Heavy Atom Count in 11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

48

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

639.7g/mol

What is the Monoisotopic Mass of 11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

639.23271632

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

12.4

How many rotatable bonds does 11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine have?

5

What is the InChIKey of 11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

KEIZMADKDYGTFM-KYJUHHDHSA-N

What is the Depositor-Supplied Synonyms of 11bS-N,N-bis[(1S)-1-(1-naphthalenyl)ethyl]dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

342813-26-7, 869571-58-4, CS-0129003, CS-0129006, E75319, E83117