[2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane

C25H21P — CID 134321167

IUPAC[2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane
SMILESCc1ccc(-c2cccc(-c3ccccc3P)c2)c(-c2ccccc2)c1
InChIInChI=1S/C25H21P/c1-18-14-15-22(24(16-18)19-8-3-2-4-9-19)20-10-7-11-21(17-20)23-12-5-6-13-25(23)26/h2-17H,26H2,1H3
InChIKeyOITOLLMAKQBZJS-UHFFFAOYSA-N
MW352.42 g/mol
LogP6.50
Rot. Bonds3

About [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane

[2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane (PubChem CID 134321167) has the molecular formula C25H21P and a molecular weight of 352.42 g/mol. Its IUPAC name is [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane.

Molecular Properties

Compound Name[2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane
PubChem CID134321167
Molecular FormulaC25H21P
Molecular Weight352.42 g/mol
Exact Mass352.14
IUPAC Name[2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane
SMILESCc1ccc(-c2cccc(-c3ccccc3P)c2)c(-c2ccccc2)c1
InChIInChI=1S/C25H21P/c1-18-14-15-22(24(16-18)19-8-3-2-4-9-19)20-10-7-11-21(17-20)23-12-5-6-13-25(23)26/h2-17H,26H2,1H3
InChIKeyOITOLLMAKQBZJS-UHFFFAOYSA-N
XLogP6.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.42
LogP ≤ 56.50
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

4-methyl-2-(3-methylphenyl)-1-[2-(3-methylphenyl)phenyl]benzene
CID 58892355
4-methyl-1-(4-methylphenyl)-2-[3-(4-methylphenyl)phenyl]benzene
CID 58892414
4-methyl-1-phenyl-2-(2-phenylphenyl)benzene
CID 59171641
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
1,2-bis[3-(3-methylphenyl)phenyl]-4,5-diphenylbenzene
CID 59552772
1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;4-methyl-1,2-diphenylbenzene;1-methyl-3-[2-(2-phenylphenyl)phenyl]benzene;1-methyl-3-[2-(3-phenylphenyl)phenyl]benzene;1-methyl-4-[2-(2-phenylphenyl)phenyl]benzene
CID 161087634
2-(4-methyl-2-phenylphenyl)phenol
CID 11368967
4-(3-methylphenyl)-1,2-diphenylbenzene
CID 59171658
tricyclo[6.6.0.02,6]tetradeca-1,3,5,7,9,11,13-heptaene
CID 101119071
1,4-bis[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene
CID 59552818
1-(3,5-dimethylphenyl)-4-[3-(3,5-dimethylphenyl)phenyl]-2-phenylbenzene;1-[3-[2-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene;bis(1-[3-[4-[3-(3,5-dimethylphenyl)phenyl]phenyl]phenyl]-3,5-dimethylbenzene)
CID 159368011
1,2-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(2-methylphenyl)phenyl]benzene;1,4-bis[3-(2-methylphenyl)phenyl]benzene;1,3-bis[3-(4-methylphenyl)phenyl]-5-phenylbenzene;1,4-bis[3-(4-methylphenyl)phenyl]-2-phenylbenzene;1,2-dimethyl-4,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 158504879

Frequently Asked Questions

What is the IUPAC name of [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane?
The IUPAC name of [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane (CID 134321167) is [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane.
What is the SMILES notation for [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane?
The canonical SMILES for [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane is Cc1ccc(-c2cccc(-c3ccccc3P)c2)c(-c2ccccc2)c1.
What is the InChIKey of [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane?
The InChIKey is OITOLLMAKQBZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21P/c1-18-14-15-22(24(16-18)19-8-3-2-4-9-19)20-10-7-11-21(17-20)23-12-5-6-13-25(23)26/h2-17H,26H2,1H3.
What are the key properties of [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane?
[2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane has a molecular weight of 352.42 g/mol, XLogP of 6.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(4-methyl-2-phenylphenyl)phenyl]phenyl]phosphane is sourced from PubChem (CID 134321167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).