(2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane

C36H40P2 — CID 87548857

IUPAC(2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane
SMILESc1ccc(-c2ccccc2Pc2ccccc2C2CCCCC2)c(Pc2ccccc2C2CCCCC2)c1
InChIInChI=1S/C36H40P2/c1-3-15-27(16-4-1)29-19-7-11-23-33(29)37-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38-34-24-12-8-20-30(34)28-17-5-2-6-18-28/h7-14,19-28,37-38H,1-6,15-18H2
InChIKeyUELFRLQMQDAKOF-UHFFFAOYSA-N
MW534.66 g/mol
LogP8.71
Rot. Bonds7

About (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane

(2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane (PubChem CID 87548857) has the molecular formula C36H40P2 and a molecular weight of 534.66 g/mol. Its IUPAC name is (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane.

Molecular Properties

Compound Name(2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane
PubChem CID87548857
Molecular FormulaC36H40P2
Molecular Weight534.66 g/mol
Exact Mass534.26
IUPAC Name(2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane
SMILESc1ccc(-c2ccccc2Pc2ccccc2C2CCCCC2)c(Pc2ccccc2C2CCCCC2)c1
InChIInChI=1S/C36H40P2/c1-3-15-27(16-4-1)29-19-7-11-23-33(29)37-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38-34-24-12-8-20-30(34)28-17-5-2-6-18-28/h7-14,19-28,37-38H,1-6,15-18H2
InChIKeyUELFRLQMQDAKOF-UHFFFAOYSA-N
XLogP8.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500534.66
LogP ≤ 58.71
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 (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane?
The IUPAC name of (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane (CID 87548857) is (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane.
What is the SMILES notation for (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane?
The canonical SMILES for (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane is c1ccc(-c2ccccc2Pc2ccccc2C2CCCCC2)c(Pc2ccccc2C2CCCCC2)c1.
What is the InChIKey of (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane?
The InChIKey is UELFRLQMQDAKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H40P2/c1-3-15-27(16-4-1)29-19-7-11-23-33(29)37-35-25-13-9-21-31(35)32-22-10-14-26-36(32)38-34-24-12-8-20-30(34)28-17-5-2-6-18-28/h7-14,19-28,37-38H,1-6,15-18H2.
What are the key properties of (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane?
(2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane has a molecular weight of 534.66 g/mol, XLogP of 8.71, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenyl)-[2-[2-(2-cyclohexylphenyl)phosphanylphenyl]phenyl]phosphane is sourced from PubChem (CID 87548857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).