[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane

C40H47P — CID 141479117

IUPAC[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C40H47P/c1-28-22-29(2)25-32(24-28)36-19-13-20-37(33-26-30(3)23-31(4)27-33)40(36)38-18-11-12-21-39(38)41(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h11-13,18-27,34-35H,5-10,14-17H2,1-4H3
InChIKeyNEVRBPLOLMZUHC-UHFFFAOYSA-N
MW558.79 g/mol
LogP11.69
Rot. Bonds6

About [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane

[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane (PubChem CID 141479117) has the molecular formula C40H47P and a molecular weight of 558.79 g/mol. Its IUPAC name is [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane.

Molecular Properties

Compound Name[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
PubChem CID141479117
Molecular FormulaC40H47P
Molecular Weight558.79 g/mol
Exact Mass558.34
IUPAC Name[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane
SMILESCc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1
InChIInChI=1S/C40H47P/c1-28-22-29(2)25-32(24-28)36-19-13-20-37(33-26-30(3)23-31(4)27-33)40(36)38-18-11-12-21-39(38)41(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h11-13,18-27,34-35H,5-10,14-17H2,1-4H3
InChIKeyNEVRBPLOLMZUHC-UHFFFAOYSA-N
XLogP11.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.79
LogP ≤ 511.69
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(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The IUPAC name of [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane (CID 141479117) is [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane.
What is the SMILES notation for [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The canonical SMILES for [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane is Cc1cc(C)cc(-c2cccc(-c3cc(C)cc(C)c3)c2-c2ccccc2P(C2CCCCC2)C2CCCCC2)c1.
What is the InChIKey of [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
The InChIKey is NEVRBPLOLMZUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H47P/c1-28-22-29(2)25-32(24-28)36-19-13-20-37(33-26-30(3)23-31(4)27-33)40(36)38-18-11-12-21-39(38)41(34-14-7-5-8-15-34)35-16-9-6-10-17-35/h11-13,18-27,34-35H,5-10,14-17H2,1-4H3.
What are the key properties of [2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane?
[2-[2,6-bis(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane has a molecular weight of 558.79 g/mol, XLogP of 11.69, 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(3,5-dimethylphenyl)phenyl]phenyl]-dicyclohexylphosphane is sourced from PubChem (CID 141479117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).