[3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane

C27H37P — CID 139964420

IUPAC[3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane
SMILESCC(C)c1ccc(-c2c(P)ccc(C3CCCCC3)c2C2CCCCC2)cc1
InChIInChI=1S/C27H37P/c1-19(2)20-13-15-23(16-14-20)27-25(28)18-17-24(21-9-5-3-6-10-21)26(27)22-11-7-4-8-12-22/h13-19,21-22H,3-12,28H2,1-2H3
InChIKeyRSXDEDHLYUDBAT-UHFFFAOYSA-N
MW392.57 g/mol
LogP8.07
Rot. Bonds4

About [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane

[3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane (PubChem CID 139964420) has the molecular formula C27H37P and a molecular weight of 392.57 g/mol. Its IUPAC name is [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane.

Molecular Properties

Compound Name[3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane
PubChem CID139964420
Molecular FormulaC27H37P
Molecular Weight392.57 g/mol
Exact Mass392.26
IUPAC Name[3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane
SMILESCC(C)c1ccc(-c2c(P)ccc(C3CCCCC3)c2C2CCCCC2)cc1
InChIInChI=1S/C27H37P/c1-19(2)20-13-15-23(16-14-20)27-25(28)18-17-24(21-9-5-3-6-10-21)26(27)22-11-7-4-8-12-22/h13-19,21-22H,3-12,28H2,1-2H3
InChIKeyRSXDEDHLYUDBAT-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.57
LogP ≤ 58.07
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

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2,3-dicyclohexylbenzenethiol
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1,3-dicyclohexyl-5-phenyl-2,4,6-tri(propan-2-yl)benzene
CID 175032315
[2,4-di(propan-2-yl)-3-(4-propan-2-ylphenyl)phenyl]phosphane
CID 174843479
N-(4-cyclohexylphenyl)-4-methyl-N-(4-propan-2-ylphenyl)aniline
CID 58383017
3-cyclopentyl-6-propan-2-yl-1H-indole
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1-(3-bromo-4-cyclohexylphenyl)ethanamine
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1-(3-bromo-4-cyclopentylphenyl)ethanamine
CID 83844709
9-(2,6-dicyclohexylphenyl)-10-[2,4,6-tri(propan-2-yl)phenyl]anthracene
CID 142358364
[1-(2-cyclohexylnaphthalen-1-yl)naphthalen-2-yl]phosphane
CID 155147383
3,4-dicyclohexyl-2-(2-hydroxyphenyl)phenol
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Frequently Asked Questions

What is the IUPAC name of [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane?
The IUPAC name of [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane (CID 139964420) is [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane.
What is the SMILES notation for [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane?
The canonical SMILES for [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane is CC(C)c1ccc(-c2c(P)ccc(C3CCCCC3)c2C2CCCCC2)cc1.
What is the InChIKey of [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane?
The InChIKey is RSXDEDHLYUDBAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37P/c1-19(2)20-13-15-23(16-14-20)27-25(28)18-17-24(21-9-5-3-6-10-21)26(27)22-11-7-4-8-12-22/h13-19,21-22H,3-12,28H2,1-2H3.
What are the key properties of [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane?
[3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane has a molecular weight of 392.57 g/mol, XLogP of 8.07, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-dicyclohexyl-2-(4-propan-2-ylphenyl)phenyl]phosphane is sourced from PubChem (CID 139964420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).