[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone

C28H31O2P — CID 141016646

IUPAC[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)c(C)c2C)c2ccccc2)c(C)c1C
InChIInChI=1S/C28H31O2P/c1-16-14-18(3)25(22(7)20(16)5)27(29)31(24-12-10-9-11-13-24)28(30)26-19(4)15-17(2)21(6)23(26)8/h9-15H,1-8H3
InChIKeyHWMLIUVZAZTBAP-UHFFFAOYSA-N
MW430.53 g/mol
LogP6.94
Rot. Bonds5

About [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone

[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone (PubChem CID 141016646) has the molecular formula C28H31O2P and a molecular weight of 430.53 g/mol. Its IUPAC name is [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone.

Molecular Properties

Compound Name[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
PubChem CID141016646
Molecular FormulaC28H31O2P
Molecular Weight430.53 g/mol
Exact Mass430.21
IUPAC Name[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)c(C)c2C)c2ccccc2)c(C)c1C
InChIInChI=1S/C28H31O2P/c1-16-14-18(3)25(22(7)20(16)5)27(29)31(24-12-10-9-11-13-24)28(30)26-19(4)15-17(2)21(6)23(26)8/h9-15H,1-8H3
InChIKeyHWMLIUVZAZTBAP-UHFFFAOYSA-N
XLogP6.94
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.53
LogP ≤ 56.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone?
The IUPAC name of [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone (CID 141016646) is [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone.
What is the SMILES notation for [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone?
The canonical SMILES for [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone is Cc1cc(C)c(C(=O)P(C(=O)c2c(C)cc(C)c(C)c2C)c2ccccc2)c(C)c1C.
What is the InChIKey of [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone?
The InChIKey is HWMLIUVZAZTBAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31O2P/c1-16-14-18(3)25(22(7)20(16)5)27(29)31(24-12-10-9-11-13-24)28(30)26-19(4)15-17(2)21(6)23(26)8/h9-15H,1-8H3.
What are the key properties of [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone?
[phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone has a molecular weight of 430.53 g/mol, XLogP of 6.94, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [phenyl-(2,3,4,6-tetramethylbenzoyl)phosphanyl]-(2,3,4,6-tetramethylphenyl)methanone is sourced from PubChem (CID 141016646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).