[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

C53H54O6P2 — CID 123284449

IUPAC[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
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)c(Cc3c(C)cc(C)c(C(=O)P(=O)(C(=O)c4c(C)cc(C)cc4C)c4ccccc4)c3C)c2C)c2ccccc2)c(C)c1
InChIInChI=1S/C53H54O6P2/c1-30-23-34(5)46(35(6)24-30)50(54)60(58,42-19-15-13-16-20-42)52(56)48-38(9)27-32(3)44(40(48)11)29-45-33(4)28-39(10)49(41(45)12)53(57)61(59,43-21-17-14-18-22-43)51(55)47-36(7)25-31(2)26-37(47)8/h13-28H,29H2,1-12H3
InChIKeyFUZLQYQSIBSUFB-UHFFFAOYSA-N
MW848.96 g/mol
LogP12.32
Rot. Bonds12

About [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

[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 (PubChem CID 123284449) has the molecular formula C53H54O6P2 and a molecular weight of 848.96 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID123284449
Molecular FormulaC53H54O6P2
Molecular Weight848.96 g/mol
Exact Mass848.34
IUPAC Name[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
SMILESCc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)c(Cc3c(C)cc(C)c(C(=O)P(=O)(C(=O)c4c(C)cc(C)cc4C)c4ccccc4)c3C)c2C)c2ccccc2)c(C)c1
InChIInChI=1S/C53H54O6P2/c1-30-23-34(5)46(35(6)24-30)50(54)60(58,42-19-15-13-16-20-42)52(56)48-38(9)27-32(3)44(40(48)11)29-45-33(4)28-39(10)49(41(45)12)53(57)61(59,43-21-17-14-18-22-43)51(55)47-36(7)25-31(2)26-37(47)8/h13-28H,29H2,1-12H3
InChIKeyFUZLQYQSIBSUFB-UHFFFAOYSA-N
XLogP12.32
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500848.96
LogP ≤ 512.32
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

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
[(2,3,4,5,6-pentamethylbenzoyl)-phenylphosphoryl]-(2,3,4,6-tetramethylphenyl)methanone
CID 18514326
[(3-deuterio-2,4,6-trimethylbenzoyl)-phenylphosphoryl]-(3-deuterio-2,4,6-trimethylphenyl)methanone
CID 175769024
[(2,6-dimethylbenzoyl)-phenylphosphoryl]-(2,6-dimethylphenyl)methanone
CID 18400333
(3-ethyl-2,4,6-trimethylbenzoyl)-phenylphosphinic acid
CID 175778832
diphenylphosphoryl-(2,4,6-trimethylphenyl)methanone;oxophosphane
CID 118610994
[amino(phenyl)phosphoryl]-(2,4,6-trimethylphenyl)methanone
CID 68512342
[4-[[4-(ethanethioylsulfanylmethyl)-2,6-dimethylbenzoyl]-phenylphosphoryl]carbonyl-3,5-dimethylphenyl]methyl ethanedithioate
CID 158535793
sodium phenyl-(2,4,6-trimethylbenzoyl)phosphinate
CID 23690966
CID 157152357
CID 157152357
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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is Cc1cc(C)c(C(=O)P(=O)(C(=O)c2c(C)cc(C)c(Cc3c(C)cc(C)c(C(=O)P(=O)(C(=O)c4c(C)cc(C)cc4C)c4ccccc4)c3C)c2C)c2ccccc2)c(C)c1.
What is the InChIKey of [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?
The InChIKey is FUZLQYQSIBSUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H54O6P2/c1-30-23-34(5)46(35(6)24-30)50(54)60(58,42-19-15-13-16-20-42)52(56)48-38(9)27-32(3)44(40(48)11)29-45-33(4)28-39(10)49(41(45)12)53(57)61(59,43-21-17-14-18-22-43)51(55)47-36(7)25-31(2)26-37(47)8/h13-28H,29H2,1-12H3.
What are the key properties of [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?
[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 has a molecular weight of 848.96 g/mol, XLogP of 12.32, 12 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-[[2,4,6-trimethyl-3-[phenyl-(2,4,6-trimethylbenzoyl)phosphoryl]carbonylphenyl]methyl]benzoyl]phosphoryl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 123284449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).