[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone

C29H33O3P — CID 18514326

IUPAC[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc2)c(C)c1C
InChIInChI=1S/C29H33O3P/c1-16-15-17(2)26(22(7)18(16)3)28(30)33(32,25-13-11-10-12-14-25)29(31)27-23(8)20(5)19(4)21(6)24(27)9/h10-15H,1-9H3
InChIKeyUFNJVLWCGNGFOR-UHFFFAOYSA-N
MW460.55 g/mol
LogP7.13
Rot. Bonds5

About [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone

[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 18514326) has the molecular formula C29H33O3P and a molecular weight of 460.55 g/mol. Its IUPAC name is [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID18514326
Molecular FormulaC29H33O3P
Molecular Weight460.55 g/mol
Exact Mass460.22
IUPAC Name[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc2)c(C)c1C
InChIInChI=1S/C29H33O3P/c1-16-15-17(2)26(22(7)18(16)3)28(30)33(32,25-13-11-10-12-14-25)29(31)27-23(8)20(5)19(4)21(6)24(27)9/h10-15H,1-9H3
InChIKeyUFNJVLWCGNGFOR-UHFFFAOYSA-N
XLogP7.13
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.55
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-chloro-6-methylphenyl)-[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]methanone
CID 18515173
[phenyl-[2,4,6-trimethyl-3-[[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methyl]benzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 123284449
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
2-chloro-1-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]ethanone
CID 140903554
[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
2-methyl-1-[2,4,6-trimethyl-3-[phenyl-[2,4,6-trimethyl-3-(2-methylprop-2-enoyl)benzoyl]phosphoryl]carbonylphenyl]propan-1-one
CID 163832285
1-[2,4,6-trimethyl-3-[phenyl-[2,4,6-trimethyl-3-(1-prop-2-enoyloxyethyl)benzoyl]phosphoryl]carbonylphenyl]ethyl prop-2-enoate
CID 141478110
phenyl-[(2,3,5,6-tetramethylbenzoyl)-(2,3,4-trimethylphenyl)phosphoryl]methanone
CID 141015886
(3-ethyl-2,4,6-trimethylbenzoyl)-phenylphosphinic acid
CID 175778832
[4-[[4-(ethanethioylsulfanylmethyl)-2,6-dimethylbenzoyl]-phenylphosphoryl]carbonyl-3,5-dimethylphenyl]methyl ethanedithioate
CID 158535793
(2,6-dimethylphenyl)-[(2-methyl-6-phenylbenzoyl)-phenylphosphoryl]methanone
CID 70014310

Frequently Asked Questions

What is the IUPAC name of [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone (CID 18514326) is [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc2)c(C)c1C.
What is the InChIKey of [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is UFNJVLWCGNGFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33O3P/c1-16-15-17(2)26(22(7)18(16)3)28(30)33(32,25-13-11-10-12-14-25)29(31)27-23(8)20(5)19(4)21(6)24(27)9/h10-15H,1-9H3.
What are the key properties of [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone?
[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 460.55 g/mol, XLogP of 7.13, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 18514326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).