[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane

C38H43P — CID 141479114

IUPAC[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCc1cccc(-c2cccc(-c3cccc(C)c3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C38H43P/c1-28-14-11-16-30(26-28)34-23-13-24-35(31-17-12-15-29(2)27-31)38(34)36-22-9-10-25-37(36)39(32-18-5-3-6-19-32)33-20-7-4-8-21-33/h9-17,22-27,32-33H,3-8,18-21H2,1-2H3
InChIKeyOJAQJVXFNFUQTG-UHFFFAOYSA-N
MW530.74 g/mol
LogP11.08
Rot. Bonds6

About [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane

[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane (PubChem CID 141479114) has the molecular formula C38H43P and a molecular weight of 530.74 g/mol. Its IUPAC name is [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
PubChem CID141479114
Molecular FormulaC38H43P
Molecular Weight530.74 g/mol
Exact Mass530.31
IUPAC Name[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCc1cccc(-c2cccc(-c3cccc(C)c3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C38H43P/c1-28-14-11-16-30(26-28)34-23-13-24-35(31-17-12-15-29(2)27-31)38(34)36-22-9-10-25-37(36)39(32-18-5-3-6-19-32)33-20-7-4-8-21-33/h9-17,22-27,32-33H,3-8,18-21H2,1-2H3
InChIKeyOJAQJVXFNFUQTG-UHFFFAOYSA-N
XLogP11.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.74
LogP ≤ 511.08
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-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The IUPAC name of [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane (CID 141479114) is [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane.
What is the SMILES notation for [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The canonical SMILES for [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane is Cc1cccc(-c2cccc(-c3cccc(C)c3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The InChIKey is OJAQJVXFNFUQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H43P/c1-28-14-11-16-30(26-28)34-23-13-24-35(31-17-12-15-29(2)27-31)38(34)36-22-9-10-25-37(36)39(32-18-5-3-6-19-32)33-20-7-4-8-21-33/h9-17,22-27,32-33H,3-8,18-21H2,1-2H3.
What are the key properties of [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane has a molecular weight of 530.74 g/mol, XLogP of 11.08, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane is sourced from PubChem (CID 141479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).