[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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Related Compounds

[2-[2,6-bis(3-methylphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 141479114
dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 166514604
[2-[2,6-bis(4-methoxyphenyl)phenyl]phenyl]-dicyclohexylphosphane
CID 164886971
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
CID 69466165
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CID 127262691
2,3-bis(2-dicyclohexylphosphanylphenyl)aniline
CID 87444825
azane;dicyclohexyl-(2-phenylphenyl)phosphane
CID 86613582
2-[4-(2-dicyclohexylphosphanylphenyl)phenyl]benzene-1,3-diol
CID 102168017
2-(2-dicyclohexylphosphanylphenyl)-6-phenylphenol
CID 54254683
dicyclohexyl-[2-(2,4,6-trimethylphenyl)phenyl]phosphane;4-(4-methylphenyl)morpholine
CID 90836051
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CID 121225630

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).