(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'}

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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).