5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine

Catalog Number	ACM1092695141
CAS	1092695-14-1
Synonyms	N-[(1R,7R)-9,9-Dimethyl-2,2,6,6-tetraphenyl-3,5,8,10-tetraoxa-4-phosphabicyclo[5.3.0]decan-4-yl]dibenzo[b,f]azepine
IUPAC Name	11-[(3aR,8aR)-2,2-dimethyl-4,4,8,8-tetraphenyl-3a,8a-dihydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl]benzo[b][1]benzazepine
Molecular Weight	687.76
Molecular Formula	C45H38NO4P
InChI	LJUJDGCREBDENF-NCRNUEESSA-N
InChI Key	InChI=1S/C45H38NO4P/c1-43(2)47-41-42(48-43)45(37-25-11-5-12-26-37,38-27-13-6-14-28-38)50-51(49-44(41,35-21-7-3-8-22-35)36-23-9-4-10-24-36)46-39-29-17-15-19-33(39)31-32-34-20-16-18-30-40(34)46/h3-32,41-42H,1-2H3/t41-,42-/m1/s1
Purity	97%
Isomeric SMILES	CC1(O[C@@H]2[C@@H](O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N5C6=CC=CC=C6C=CC7=CC=CC=C75)(C8=CC=CC=C8)C9=CC=CC=C9)C

Q&A

What is the molecular formula of 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

The molecular formula is C45H38NO4P.

What is the exact mass of 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

The exact mass is 687.25384569.

How many hydrogen bond acceptors does 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine have?

5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine has 5 hydrogen bond acceptors.

What is the InChIKey of 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

The InChIKey is LJUJDGCREBDENF-NCRNUEESSA-N.

What is the Canonical SMILES representation of 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

The Canonical SMILES is CC1(OC2C(O1)C(OP(OC2(C3=CC=CC=C3)C4=CC=CC=C4)N5C6=CC=CC=C6C=CC7=CC=CC=C75)(C8=CC=CC=C8)C9=CC=CC=C9)C.

What is the Computed Properties XLogP3 value of 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

The XLogP3 value is 10.2.

How many heavy atoms are present in 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

There are 51 heavy atoms.

What is the Depositor-Supplied Synonym for 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

The Depositor-Supplied Synonym is 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine.

How many rotatable bonds are present in 5-((3aR,8aR)-2,2-Dimethyl-4,4,8,8-tetraphenyltetrahydro-[1,3]dioxolo[4,5-e][1,3,2]dioxaphosphepin-6-yl)-5H-dibenzo[b,f]azepine?

There are 5 rotatable bonds.