[phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone

C43H42O6P2 — CID 21343894

IUPAC[phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)c(C(=O)P(=O)(C(=O)c3c(C)cc(C)cc3C)c3ccccc3)c2C)c2ccccc2)c(C)c1
InChIInChI=1S/C43H42O6P2/c1-25-20-27(3)36(28(4)21-25)40(44)50(48,34-16-12-10-13-17-34)42(46)38-31(7)24-32(8)39(33(38)9)43(47)51(49,35-18-14-11-15-19-35)41(45)37-29(5)22-26(2)23-30(37)6/h10-24H,1-9H3
InChIKeyKRBZMLYUESBILP-UHFFFAOYSA-N
MW716.75 g/mol
LogP9.80
Rot. Bonds10

About [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone

[phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 21343894) has the molecular formula C43H42O6P2 and a molecular weight of 716.75 g/mol. Its IUPAC name is [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
PubChem CID21343894
Molecular FormulaC43H42O6P2
Molecular Weight716.75 g/mol
Exact Mass716.25
IUPAC Name[phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)c(C(=O)P(=O)(C(=O)c3c(C)cc(C)cc3C)c3ccccc3)c2C)c2ccccc2)c(C)c1
InChIInChI=1S/C43H42O6P2/c1-25-20-27(3)36(28(4)21-25)40(44)50(48,34-16-12-10-13-17-34)42(46)38-31(7)24-32(8)39(33(38)9)43(47)51(49,35-18-14-11-15-19-35)41(45)37-29(5)22-26(2)23-30(37)6/h10-24H,1-9H3
InChIKeyKRBZMLYUESBILP-UHFFFAOYSA-N
XLogP9.80
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500716.75
LogP ≤ 59.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone (CID 21343894) is [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)c(C(=O)P(=O)(C(=O)c3c(C)cc(C)cc3C)c3ccccc3)c2C)c2ccccc2)c(C)c1.
What is the InChIKey of [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is KRBZMLYUESBILP-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H42O6P2/c1-25-20-27(3)36(28(4)21-25)40(44)50(48,34-16-12-10-13-17-34)42(46)38-31(7)24-32(8)39(33(38)9)43(47)51(49,35-18-14-11-15-19-35)41(45)37-29(5)22-26(2)23-30(37)6/h10-24H,1-9H3.
What are the key properties of [phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone?
[phenyl-[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 716.75 g/mol, XLogP of 9.80, 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-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylbenzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 21343894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).