(11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine

Catalog Number	ACM1332500216
CAS	1332500-21-6
IUPAC Name	N-[1-(2-diphenylphosphanylphenyl)ethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-amine
Molecular Weight	627.69
Molecular Formula	C40H39NO2P2
InChI	GASCSZPDZOTQBY-UHFFFAOYSA-N
InChI Key	InChI=1S/C40H39NO2P2/c1-28(33-20-12-13-23-38(33)44(31-16-4-2-5-17-31)32-18-6-3-7-19-32)41-45-42-36-26-24-29-14-8-10-21-34(29)39(36)40-35-22-11-9-15-30(35)25-27-37(40)43-45/h2-7,12-13,16-20,23-28,41H,8-11,14-15,21-22H2,1H3
Purity	97%
Isomeric SMILES	CC(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)NP4OC5=C(C6=C(CCCC6)C=C5)C7=C(O4)C=CC8=C7CCCC8

Q&A

What is the molecular formula of (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The molecular formula is C40H39NO2P2.

What is the exact mass of (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The exact mass is 627.24560348 g/mol.

What is the IUPAC name of (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The IUPAC name is N-[1-(2-diphenylphosphanylphenyl)ethyl]-12,14-dioxa-13-phosphapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3(8),9,16,18(23)-hexaen-13-amine.

How many hydrogen bond acceptors does (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine have?

(11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine has 3 hydrogen bond acceptors.

What is the XLogP3 value of (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The XLogP3 value is 10.5.

How many heavy atoms are present in (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 45 heavy atoms in (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine.

What is the canonical SMILES representation of (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The canonical SMILES representation is CC(C1=CC=CC=C1P(C2=CC=CC=C2)C3=CC=CC=C3)NP4OC5=C(C6=C(CCCC6)C=C5)C7=C(O4)C=CC8=C7CCCC8.

What is the Computed Properties Rotatable Bond Count of (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The Rotatable Bond Count is 6.

How many stereocenters are defined for atoms in (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

There are 0 defined atom stereocenters and 0 defined bond stereocenters.

What is the InChIKey of (11bR)-N-(1-(2-(Diphenylphosphino)phenyl)ethyl)-8,9,10,11,12,13,14,15-octahydrodinaphtho[2,1-d:1',2'-f][1,3,2]dioxaphosphepin-4-amine?

The InChIKey is GASCSZPDZOTQBY-UHFFFAOYSA-N.