2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

C59H85NP2 — CID 158497160

About 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane

2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (PubChem CID 158497160) has the molecular formula C59H85NP2 and a molecular weight of 870.28 g/mol. Its IUPAC name is 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

Molecular Properties

• Compound Name: 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• PubChem CID: 158497160
• Molecular Formula: C59H85NP2
• Molecular Weight: 870.28 g/mol
• Exact Mass: 869.62
• IUPAC Name: 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
• SMILES: CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
• InChI: InChI=1S/C33H49P.C26H36NP/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;9-12,17-22H,3-8,13-16H2,1-2H3
• InChIKey: HJKZPWJZIUKWST-UHFFFAOYSA-N
• XLogP: 17.69
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 12
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	870.28
LogP ≤ 5	17.69
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phosphor', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?

The IUPAC name of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane (CID 158497160) is 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane.

What is the SMILES notation for 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?

The canonical SMILES for 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.CN(C)c1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.

What is the InChIKey of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?

The InChIKey is HJKZPWJZIUKWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49P.C26H36NP/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-27(2)25-19-11-9-17-23(25)24-18-10-12-20-26(24)28(21-13-5-3-6-14-21)22-15-7-4-8-16-22/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;9-12,17-22H,3-8,13-16H2,1-2H3.

What are the key properties of 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane?

2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane has a molecular weight of 870.28 g/mol, XLogP of 17.69, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane is sourced from PubChem (CID 158497160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).