[1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane

C34H38P2 — CID 90111823

IUPAC[1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)C1(P(c2ccccc2C)c2ccccc2C)CCCCC1
InChIInChI=1S/C34H38P2/c1-26-16-6-10-20-30(26)35(31-21-11-7-17-27(31)2)34(24-14-5-15-25-34)36(32-22-12-8-18-28(32)3)33-23-13-9-19-29(33)4/h6-13,16-23H,5,14-15,24-25H2,1-4H3
InChIKeyQDLYELFLBUSPFG-UHFFFAOYSA-N
MW508.63 g/mol
LogP8.15
Rot. Bonds6

About [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane

[1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane (PubChem CID 90111823) has the molecular formula C34H38P2 and a molecular weight of 508.63 g/mol. Its IUPAC name is [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane.

Molecular Properties

Compound Name[1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane
PubChem CID90111823
Molecular FormulaC34H38P2
Molecular Weight508.63 g/mol
Exact Mass508.24
IUPAC Name[1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane
SMILESCc1ccccc1P(c1ccccc1C)C1(P(c2ccccc2C)c2ccccc2C)CCCCC1
InChIInChI=1S/C34H38P2/c1-26-16-6-10-20-30(26)35(31-21-11-7-17-27(31)2)34(24-14-5-15-25-34)36(32-22-12-8-18-28(32)3)33-23-13-9-19-29(33)4/h6-13,16-23H,5,14-15,24-25H2,1-4H3
InChIKeyQDLYELFLBUSPFG-UHFFFAOYSA-N
XLogP8.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.63
LogP ≤ 58.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane?
The IUPAC name of [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane (CID 90111823) is [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane.
What is the SMILES notation for [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane?
The canonical SMILES for [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane is Cc1ccccc1P(c1ccccc1C)C1(P(c2ccccc2C)c2ccccc2C)CCCCC1.
What is the InChIKey of [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane?
The InChIKey is QDLYELFLBUSPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38P2/c1-26-16-6-10-20-30(26)35(31-21-11-7-17-27(31)2)34(24-14-5-15-25-34)36(32-22-12-8-18-28(32)3)33-23-13-9-19-29(33)4/h6-13,16-23H,5,14-15,24-25H2,1-4H3.
What are the key properties of [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane?
[1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane has a molecular weight of 508.63 g/mol, XLogP of 8.15, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bis(2-methylphenyl)phosphanylcyclohexyl]-bis(2-methylphenyl)phosphane is sourced from PubChem (CID 90111823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).