dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane

C35H55P — CID 121225630

IUPACdicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
SMILESCC.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
InChIInChI=1S/C33H49P.C2H6/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-2/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-2H3
InChIKeyWYQHWTXDFNWODS-UHFFFAOYSA-N
MW506.80 g/mol
LogP11.52
Rot. Bonds7

About dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane

dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane (PubChem CID 121225630) has the molecular formula C35H55P and a molecular weight of 506.80 g/mol. Its IUPAC name is dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane.

Molecular Properties

Compound Namedicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
PubChem CID121225630
Molecular FormulaC35H55P
Molecular Weight506.80 g/mol
Exact Mass506.40
IUPAC Namedicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane
SMILESCC.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1
InChIInChI=1S/C33H49P.C2H6/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-2/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-2H3
InChIKeyWYQHWTXDFNWODS-UHFFFAOYSA-N
XLogP11.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.80
LogP ≤ 511.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane 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

dicyclohexyl-[2-[2-methyl-4,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 70670127
acetic acid;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium
CID 139233880
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium(2+);diacetate
CID 86647063
2-(2-dicyclohexylphosphanylphenyl)-N,N-dimethylaniline;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 158497160
dicyclohexyl-[2-(2,6-dimethoxyphenyl)phenyl]phosphane;dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane
CID 174903912
dicyclohexyl-[2-[4-(3-methylphenyl)-2,6-di(propan-2-yl)phenyl]phenyl]phosphane
CID 166514604
ditert-butyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;dicyclohexyl-(2-methyl-3-phenylphenyl)phosphane
CID 87094403
1,3-bis[2,6-di(propan-2-yl)phenyl]-2H-imidazol-1-ium-2-ide;bis(dichloromethane);dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;palladium(2+);dichloride
CID 139159297
[2,6-bis[2,4,6-tri(propan-2-yl)phenyl]phenyl]-tert-butyl-cyclohexylphosphane
CID 156775465
dicyclohexyl-[2-(2,6-dimethylphenyl)phenyl]phosphane;[3-dicyclohexylphosphanyl-4-methyl-2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]methanol;[2-(2-dicyclohexylphosphanylphenyl)-3-methylphenyl]methanol;bis(N-methyl-1-[2-(2-methylphenyl)phenyl]methanamine);bis(2-(2-methylphenyl)-1,3,5-tri(propan-2-yl)benzene)
CID 157287039
(2-anthracen-9-ylphenyl)-dicyclohexylphosphane
CID 127262691
(R)-N-[(R)-(2-dicyclohexylphosphanylphenyl)-[2,4,6-tri(propan-2-yl)phenyl]methyl]-N,2-dimethylpropane-2-sulfinamide
CID 156620899

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane?
The IUPAC name of dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane (CID 121225630) is dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane.
What is the SMILES notation for dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane?
The canonical SMILES for dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane is CC.CC(C)c1cc(C(C)C)c(-c2ccccc2P(C2CCCCC2)C2CCCCC2)c(C(C)C)c1.
What is the InChIKey of dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane?
The InChIKey is WYQHWTXDFNWODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H49P.C2H6/c1-23(2)26-21-30(24(3)4)33(31(22-26)25(5)6)29-19-13-14-20-32(29)34(27-15-9-7-10-16-27)28-17-11-8-12-18-28;1-2/h13-14,19-25,27-28H,7-12,15-18H2,1-6H3;1-2H3.
What are the key properties of dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane?
dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane has a molecular weight of 506.80 g/mol, XLogP of 11.52, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-[2,4,6-tri(propan-2-yl)phenyl]phenyl]phosphane;ethane is sourced from PubChem (CID 121225630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).