ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane

C32H47O2P — CID 142281030

IUPACditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane
SMILESCC(C)(C)P(c1ccccc1-c1c(OC2CCCCC2)cccc1OC1CCCCC1)C(C)(C)C
InChIInChI=1S/C32H47O2P/c1-31(2,3)35(32(4,5)6)29-23-14-13-20-26(29)30-27(33-24-16-9-7-10-17-24)21-15-22-28(30)34-25-18-11-8-12-19-25/h13-15,20-25H,7-12,16-19H2,1-6H3
InChIKeyNCYJAQBDJOTHCT-UHFFFAOYSA-N
MW494.70 g/mol
LogP9.48
Rot. Bonds6

About ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane

ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane (PubChem CID 142281030) has the molecular formula C32H47O2P and a molecular weight of 494.70 g/mol. Its IUPAC name is ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane.

Molecular Properties

Compound Nameditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane
PubChem CID142281030
Molecular FormulaC32H47O2P
Molecular Weight494.70 g/mol
Exact Mass494.33
IUPAC Nameditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane
SMILESCC(C)(C)P(c1ccccc1-c1c(OC2CCCCC2)cccc1OC1CCCCC1)C(C)(C)C
InChIInChI=1S/C32H47O2P/c1-31(2,3)35(32(4,5)6)29-23-14-13-20-26(29)30-27(33-24-16-9-7-10-17-24)21-15-22-28(30)34-25-18-11-8-12-19-25/h13-15,20-25H,7-12,16-19H2,1-6H3
InChIKeyNCYJAQBDJOTHCT-UHFFFAOYSA-N
XLogP9.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.70
LogP ≤ 59.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ditert-butyl-[2-[2,6-di(propan-2-yloxy)phenyl]phenyl]phosphane
CID 153323041
1,2-dicyclohexyloxybenzene
CID 67331328
CID 69466165
CID 69466165
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;palladium(2+)
CID 71494531
1-cyclohexyloxy-2-fluoro-3-methylbenzene
CID 70930096
1-cyclopentyloxy-2-fluoro-3-methylbenzene
CID 103942608
1-(2-cyclopentyloxyphenyl)propan-1-ol
CID 43503588
methyl 2-cyclohexyloxybenzoate
CID 11345342
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;dicyclohexyl-(2-methyl-3-phenylphenyl)phosphane
CID 87094403
[2,6-bis[2,6-di(propan-2-yloxy)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 170566802
2-cyclohexyloxybenzenethiol;fluoroform
CID 174582478
2-cyclopentyloxy-N-methylaniline
CID 130903637

Frequently Asked Questions

What is the IUPAC name of ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane?
The IUPAC name of ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane (CID 142281030) is ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane.
What is the SMILES notation for ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane?
The canonical SMILES for ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane is CC(C)(C)P(c1ccccc1-c1c(OC2CCCCC2)cccc1OC1CCCCC1)C(C)(C)C.
What is the InChIKey of ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane?
The InChIKey is NCYJAQBDJOTHCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47O2P/c1-31(2,3)35(32(4,5)6)29-23-14-13-20-26(29)30-27(33-24-16-9-7-10-17-24)21-15-22-28(30)34-25-18-11-8-12-19-25/h13-15,20-25H,7-12,16-19H2,1-6H3.
What are the key properties of ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane?
ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane has a molecular weight of 494.70 g/mol, XLogP of 9.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl-[2-(2,6-dicyclohexyloxyphenyl)phenyl]phosphane is sourced from PubChem (CID 142281030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).