(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone

C29H25O3P — CID 70014310

IUPAC(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C)cccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25O3P/c1-20-12-10-13-21(2)26(20)28(30)33(32,24-17-8-5-9-18-24)29(31)27-22(3)14-11-19-25(27)23-15-6-4-7-16-23/h4-19H,1-3H3
InChIKeyIXSZVLXMWFEPJZ-UHFFFAOYSA-N
MW452.49 g/mol
LogP6.95
Rot. Bonds6

About (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone

(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone (PubChem CID 70014310) has the molecular formula C29H25O3P and a molecular weight of 452.49 g/mol. Its IUPAC name is (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone.

Molecular Properties

Compound Name(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
PubChem CID70014310
Molecular FormulaC29H25O3P
Molecular Weight452.49 g/mol
Exact Mass452.15
IUPAC Name(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
SMILESCc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C)cccc1-c1ccccc1)c1ccccc1
InChIInChI=1S/C29H25O3P/c1-20-12-10-13-21(2)26(20)28(30)33(32,24-17-8-5-9-18-24)29(31)27-22(3)14-11-19-25(27)23-15-6-4-7-16-23/h4-19H,1-3H3
InChIKeyIXSZVLXMWFEPJZ-UHFFFAOYSA-N
XLogP6.95
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.49
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
CID 18515173
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
CID 21343895
[(3-deuterio-2,4,6-trimethylbenzoyl)-phenylphosphoryl]-(3-deuterio-2,4,6-trimethylphenyl)methanone
CID 175769024
1-methyl-2-phenylbenzene;phosphoric acid
CID 159087333
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
CID 18514326
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
(2-chloro-6-methylphenyl)-[(2,6-diethoxybenzoyl)-phenylphosphoryl]methanone
CID 18514546
lithium (2-methyl-6-phenylbenzoyl)-(2-methylpropyl)phosphanide
CID 141023057
lithium;hydride;1-(2-methyl-6-phenylphenyl)-2-phosphanylpropan-1-one
CID 174476920
2-chloro-1-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]ethanone
CID 140903554

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone?
The IUPAC name of (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone (CID 70014310) is (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone.
What is the SMILES notation for (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone?
The canonical SMILES for (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone is Cc1cccc(C)c1C(=O)P(=O)(C(=O)c1c(C)cccc1-c1ccccc1)c1ccccc1.
What is the InChIKey of (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone?
The InChIKey is IXSZVLXMWFEPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25O3P/c1-20-12-10-13-21(2)26(20)28(30)33(32,24-17-8-5-9-18-24)29(31)27-22(3)14-11-19-25(27)23-15-6-4-7-16-23/h4-19H,1-3H3.
What are the key properties of (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone?
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone has a molecular weight of 452.49 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone is sourced from PubChem (CID 70014310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).