dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane

C25H33P — CID 58500391

IUPACdicyclohexyl-(2-methyl-4-phenylphenyl)phosphane
SMILESCc1cc(-c2ccccc2)ccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H33P/c1-20-19-22(21-11-5-2-6-12-21)17-18-25(20)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2,5-6,11-12,17-19,23-24H,3-4,7-10,13-16H2,1H3
InChIKeySQYDOXMBHCBLDW-UHFFFAOYSA-N
MW364.51 g/mol
LogP7.43
Rot. Bonds4

About dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane

dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane (PubChem CID 58500391) has the molecular formula C25H33P and a molecular weight of 364.51 g/mol. Its IUPAC name is dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane.

Molecular Properties

Compound Namedicyclohexyl-(2-methyl-4-phenylphenyl)phosphane
PubChem CID58500391
Molecular FormulaC25H33P
Molecular Weight364.51 g/mol
Exact Mass364.23
IUPAC Namedicyclohexyl-(2-methyl-4-phenylphenyl)phosphane
SMILESCc1cc(-c2ccccc2)ccc1P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C25H33P/c1-20-19-22(21-11-5-2-6-12-21)17-18-25(20)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2,5-6,11-12,17-19,23-24H,3-4,7-10,13-16H2,1H3
InChIKeySQYDOXMBHCBLDW-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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Related Compounds

M-Terphenyl
CID 7076
Benzyltriphenylphosphonium chloride
CID 70671
Phosphine, tris(4-methylphenyl)-
CID 13956
Benzene, 1,1',1'',1'''-(1,3-butadiene-1,4-diylidene)tetrakis-
CID 74060
(2-Methylbenzyl)triphenylphosphonium bromide
CID 197738
Tri-o-tolylphosphine
CID 80271
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, chloride (1:1)
CID 150925
Phosphonium, ((4-methylphenyl)methyl)triphenyl-, bromide (1:1)
CID 11797662
Quaterphenyl
CID 14422
Tetraphenylethylene
CID 69437
Methylbis(phenylmethyl)benzene
CID 3034397
Phosphine, tris(phenylmethyl)-
CID 82101

Frequently Asked Questions

What is the IUPAC name of dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane?
The IUPAC name of dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane (CID 58500391) is dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane.
What is the SMILES notation for dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane?
The canonical SMILES for dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane is Cc1cc(-c2ccccc2)ccc1P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane?
The InChIKey is SQYDOXMBHCBLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33P/c1-20-19-22(21-11-5-2-6-12-21)17-18-25(20)26(23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2,5-6,11-12,17-19,23-24H,3-4,7-10,13-16H2,1H3.
What are the key properties of dicyclohexyl-(2-methyl-4-phenylphenyl)phosphane?
dicyclohexyl-(2-methyl-4-phenylphenyl)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-methyl-4-phenylphenyl)phosphane is sourced from PubChem (CID 58500391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).