[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone

C40H36O6P2 — CID 21343895

IUPAC[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2ccccc2C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C40H36O6P2/c1-25-21-27(3)35(28(4)22-25)39(43)47(45,31-15-9-7-10-16-31)37(41)33-19-13-14-20-34(33)38(42)48(46,32-17-11-8-12-18-32)40(44)36-29(5)23-26(2)24-30(36)6/h7-24H,1-6H3
InChIKeyAKTNCNRVKPFETG-UHFFFAOYSA-N
MW674.67 g/mol
LogP8.88
Rot. Bonds10

About [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone

[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone (PubChem CID 21343895) has the molecular formula C40H36O6P2 and a molecular weight of 674.67 g/mol. Its IUPAC name is [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone.

Molecular Properties

Compound Name[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
PubChem CID21343895
Molecular FormulaC40H36O6P2
Molecular Weight674.67 g/mol
Exact Mass674.20
IUPAC Name[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2ccccc2C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c2ccccc2)c(C)c1
InChIInChI=1S/C40H36O6P2/c1-25-21-27(3)35(28(4)22-25)39(43)47(45,31-15-9-7-10-16-31)37(41)33-19-13-14-20-34(33)38(42)48(46,32-17-11-8-12-18-32)40(44)36-29(5)23-26(2)24-30(36)6/h7-24H,1-6H3
InChIKeyAKTNCNRVKPFETG-UHFFFAOYSA-N
XLogP8.88
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.67
LogP ≤ 58.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[(3-deuterio-2,4,6-trimethylbenzoyl)-phenylphosphoryl]-(3-deuterio-2,4,6-trimethylphenyl)methanone
CID 175769024
[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
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
2-chloro-1-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]ethanone
CID 140903554
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
CID 18514326
CID 157152357
CID 157152357
[(4-fluorophenyl)-phenylphosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 155797932
bis(4-phenylphenyl)phosphoryl-(2,4,6-trimethylphenyl)methanone
CID 162462409
[4-[[4-(ethanethioylsulfanylmethyl)-2,6-dimethylbenzoyl]-phenylphosphoryl]carbonyl-3,5-dimethylphenyl]methyl ethanedithioate
CID 158535793

Frequently Asked Questions

What is the IUPAC name of [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone?
The IUPAC name of [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone (CID 21343895) is [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone.
What is the SMILES notation for [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone?
The canonical SMILES for [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone is Cc1cc(C)c(C(=O)P(=O)(C(=O)c2ccccc2C(=O)P(=O)(C(=O)c2c(C)cc(C)cc2C)c2ccccc2)c2ccccc2)c(C)c1.
What is the InChIKey of [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone?
The InChIKey is AKTNCNRVKPFETG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36O6P2/c1-25-21-27(3)35(28(4)22-25)39(43)47(45,31-15-9-7-10-16-31)37(41)33-19-13-14-20-34(33)38(42)48(46,32-17-11-8-12-18-32)40(44)36-29(5)23-26(2)24-30(36)6/h7-24H,1-6H3.
What are the key properties of [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone?
[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone has a molecular weight of 674.67 g/mol, XLogP of 8.88, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]-[2-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methanone is sourced from PubChem (CID 21343895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).