dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane

C42H52P2 — CID 58152982

IUPACdicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
SMILESCc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C42H52P2/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-8,11-14,19-22,27-28,37-38H,9-10,15-18,23-26H2,1-6H3
InChIKeyWWLGMVBVISKARO-UHFFFAOYSA-N
MW618.83 g/mol
LogP10.73
Rot. Bonds7

About dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane

dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane (PubChem CID 58152982) has the molecular formula C42H52P2 and a molecular weight of 618.83 g/mol. Its IUPAC name is dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
PubChem CID58152982
Molecular FormulaC42H52P2
Molecular Weight618.83 g/mol
Exact Mass618.35
IUPAC Namedicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane
SMILESCc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(C)c(C)c2C)c(C)c1C
InChIInChI=1S/C42H52P2/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-8,11-14,19-22,27-28,37-38H,9-10,15-18,23-26H2,1-6H3
InChIKeyWWLGMVBVISKARO-UHFFFAOYSA-N
XLogP10.73
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.83
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane (CID 58152982) is dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane is Cc1cc(P(c2ccccc2)c2ccccc2)c(-c2c(P(C3CCCCC3)C3CCCCC3)cc(C)c(C)c2C)c(C)c1C.
What is the InChIKey of dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane?
The InChIKey is WWLGMVBVISKARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C42H52P2/c1-29-27-39(43(35-19-11-7-12-20-35)36-21-13-8-14-22-36)41(33(5)31(29)3)42-34(6)32(4)30(2)28-40(42)44(37-23-15-9-16-24-37)38-25-17-10-18-26-38/h7-8,11-14,19-22,27-28,37-38H,9-10,15-18,23-26H2,1-6H3.
What are the key properties of dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane?
dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane has a molecular weight of 618.83 g/mol, XLogP of 10.73, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(6-diphenylphosphanyl-2,3,4-trimethylphenyl)-3,4,5-trimethylphenyl]phosphane is sourced from PubChem (CID 58152982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).