(11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline

Catalog Number	ACM1710694475
CAS	1710694-47-5
Structure
Synonyms	(S)-THQphos
IUPAC Name	1-(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-yl)-3,4-dihydro-2H-quinoline
Molecular Weight	447.46
Molecular Formula	C29H22NO2P
InChI	YQTDEFANHFXFGX-UHFFFAOYSA-N
InChI Key	InChI=1S/C29H22NO2P/c1-4-12-23-20(8-1)15-17-26-28(23)29-24-13-5-2-9-21(24)16-18-27(29)32-33(31-26)30-19-7-11-22-10-3-6-14-25(22)30/h1-6,8-10,12-18H,7,11,19H2
Purity	97%
Isomeric SMILES	C1CC2=CC=CC=C2N(C1)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76

Q&A

What is the molecular formula of (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

The molecular formula is C29H22NO2P.

What is the molecular weight of (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

The molecular weight is 447.5g/mol.

What is the exact mass of (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

The exact mass is 447.13881594.

What is the Canonical SMILES representation of (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

C1CC2=CC=CC=C2N(C1)P3OC4=C(C5=CC=CC=C5C=C4)C6=C(O3)C=CC7=CC=CC=C76

How many heavy atoms are present in (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

There are 33 heavy atoms in (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline.

How many stereocenters are defined in (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

There are no defined atom or bond stereocenters.

How many rotatable bonds are present in (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

There is 1 rotatable bond.

What is the XLogP3 value of (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

The XLogP3 value is 8.3.

What are some of the Depositor-Supplied Synonyms of (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

Some synonyms include 1360145-09-0 and (R)-THQphos.

What is the InChIKey for (11bS)-1-(Dinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-yl)-1,2,3,4-tetrahydroquinoline?

The InChIKey is YQTDEFANHFXFGX-UHFFFAOYSA-N.