1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene

C25H21OP — CID 14298647

IUPAC1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
SMILESCP(=O)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21OP/c1-27(26,24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h2-19H,1H3
InChIKeyXRIFPPBGKGCPHT-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.96
Rot. Bonds4

About 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene

1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene (PubChem CID 14298647) has the molecular formula C25H21OP and a molecular weight of 368.42 g/mol. Its IUPAC name is 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene.

Molecular Properties

Compound Name1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
PubChem CID14298647
Molecular FormulaC25H21OP
Molecular Weight368.42 g/mol
Exact Mass368.13
IUPAC Name1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene
SMILESCP(=O)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C25H21OP/c1-27(26,24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h2-19H,1H3
InChIKeyXRIFPPBGKGCPHT-UHFFFAOYSA-N
XLogP5.96
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[methyl(phenyl)phosphoryl]-3-phenylbenzene
CID 57015160
ethane;methane;[methyl(phenyl)phosphoryl]benzene
CID 162150444
methoxymethane;[methyl(phenyl)phosphoryl]benzene
CID 90840778
1-(4-diphenylphosphorylphenyl)-4-methylbenzene
CID 11233983
dimethyl-methylidene-(4-phenylphenyl)-λ5-phosphane
CID 59915525
1,3-bis(4-diphenylphosphorylphenyl)benzene
CID 102485161
N-[dimethylamino-(4-phenylphenyl)phosphoryl]-N-methylmethanamine
CID 592300
chloro-(4-phenylphenyl)phosphinic acid
CID 121303407
1-[ethoxy(phenyl)phosphoryl]-4-phenylbenzene
CID 162415122
1-[methyl(phenyl)phosphoryl]-2-phenylbenzene
CID 44633937
9-phenyl-10-[4-[phenyl-(4-phenylphenyl)phosphoryl]phenyl]anthracene
CID 166031061
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969

Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene?
The IUPAC name of 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene (CID 14298647) is 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene.
What is the SMILES notation for 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene?
The canonical SMILES for 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene is CP(=O)(c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene?
The InChIKey is XRIFPPBGKGCPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21OP/c1-27(26,24-16-12-22(13-17-24)20-8-4-2-5-9-20)25-18-14-23(15-19-25)21-10-6-3-7-11-21/h2-19H,1H3.
What are the key properties of 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene?
1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene has a molecular weight of 368.42 g/mol, XLogP of 5.96, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-phenylphenyl)phosphoryl]-4-phenylbenzene is sourced from PubChem (CID 14298647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).