[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane

C42H54P2 — CID 90109663

IUPAC[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)c(C)c2C)C2(P(c3ccc(C)c(C)c3C)c3ccc(C)c(C)c3C)CCCCC2)c(C)c1C
InChIInChI=1S/C42H54P2/c1-26-16-20-38(34(9)30(26)5)43(39-21-17-27(2)31(6)35(39)10)42(24-14-13-15-25-42)44(40-22-18-28(3)32(7)36(40)11)41-23-19-29(4)33(8)37(41)12/h16-23H,13-15,24-25H2,1-12H3
InChIKeyRYNKAXRNNQHIQS-UHFFFAOYSA-N
MW620.84 g/mol
LogP10.61
Rot. Bonds6

About [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane

[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane (PubChem CID 90109663) has the molecular formula C42H54P2 and a molecular weight of 620.84 g/mol. Its IUPAC name is [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Name[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane
PubChem CID90109663
Molecular FormulaC42H54P2
Molecular Weight620.84 g/mol
Exact Mass620.37
IUPAC Name[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane
SMILESCc1ccc(P(c2ccc(C)c(C)c2C)C2(P(c3ccc(C)c(C)c3C)c3ccc(C)c(C)c3C)CCCCC2)c(C)c1C
InChIInChI=1S/C42H54P2/c1-26-16-20-38(34(9)30(26)5)43(39-21-17-27(2)31(6)35(39)10)42(24-14-13-15-25-42)44(40-22-18-28(3)32(7)36(40)11)41-23-19-29(4)33(8)37(41)12/h16-23H,13-15,24-25H2,1-12H3
InChIKeyRYNKAXRNNQHIQS-UHFFFAOYSA-N
XLogP10.61
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.84
LogP ≤ 510.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)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(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane?
The IUPAC name of [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane (CID 90109663) is [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane is Cc1ccc(P(c2ccc(C)c(C)c2C)C2(P(c3ccc(C)c(C)c3C)c3ccc(C)c(C)c3C)CCCCC2)c(C)c1C.
What is the InChIKey of [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane?
The InChIKey is RYNKAXRNNQHIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H54P2/c1-26-16-20-38(34(9)30(26)5)43(39-21-17-27(2)31(6)35(39)10)42(24-14-13-15-25-42)44(40-22-18-28(3)32(7)36(40)11)41-23-19-29(4)33(8)37(41)12/h16-23H,13-15,24-25H2,1-12H3.
What are the key properties of [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane?
[1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane has a molecular weight of 620.84 g/mol, XLogP of 10.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [1-bis(2,3,4-trimethylphenyl)phosphanylcyclohexyl]-bis(2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 90109663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).