dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane

C25H33P — CID 2734938

IUPACdicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane
SMILESCc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3
InChIKeyGPVWUKXZFDHGMZ-UHFFFAOYSA-N
MW364.51 g/mol
LogP7.43
Rot. Bonds4

About dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane

dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane (PubChem CID 2734938) has the molecular formula C25H33P and a molecular weight of 364.51 g/mol. Its IUPAC name is dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane.

Molecular Properties

Compound Namedicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane
PubChem CID2734938
Molecular FormulaC25H33P
Molecular Weight364.51 g/mol
Exact Mass364.23
IUPAC Namedicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane
SMILESCc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3
InChIKeyGPVWUKXZFDHGMZ-UHFFFAOYSA-N
XLogP7.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 57.43
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 dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane?
The IUPAC name of dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane (CID 2734938) is dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane.
What is the SMILES notation for dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane?
The canonical SMILES for dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane is Cc1ccccc1-c1ccccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane?
The InChIKey is GPVWUKXZFDHGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33P/c1-20-12-8-9-17-23(20)24-18-10-11-19-25(24)26(21-13-4-2-5-14-21)22-15-6-3-7-16-22/h8-12,17-19,21-22H,2-7,13-16H2,1H3.
What are the key properties of dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane?
dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane has a molecular weight of 364.51 g/mol, XLogP of 7.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dicyclohexyl-[2-(2-methylphenyl)phenyl]phosphane is sourced from PubChem (CID 2734938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).