[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone

C26H25O3P — CID 172735368

IUPAC[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cccc(C(=O)c3c(C)cc(C)cc3C)c2P=O)c(C)c1
InChIInChI=1S/C26H25O3P/c1-14-10-16(3)22(17(4)11-14)24(27)20-8-7-9-21(26(20)30-29)25(28)23-18(5)12-15(2)13-19(23)6/h7-13H,1-6H3
InChIKeyGZEBVOSFYYECRY-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.92
Rot. Bonds5

About [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone

[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone (PubChem CID 172735368) has the molecular formula C26H25O3P and a molecular weight of 416.46 g/mol. Its IUPAC name is [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone.

Molecular Properties

Compound Name[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
PubChem CID172735368
Molecular FormulaC26H25O3P
Molecular Weight416.46 g/mol
Exact Mass416.15
IUPAC Name[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cccc(C(=O)c3c(C)cc(C)cc3C)c2P=O)c(C)c1
InChIInChI=1S/C26H25O3P/c1-14-10-16(3)22(17(4)11-14)24(27)20-8-7-9-21(26(20)30-29)25(28)23-18(5)12-15(2)13-19(23)6/h7-13H,1-6H3
InChIKeyGZEBVOSFYYECRY-UHFFFAOYSA-N
XLogP5.92
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.92
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

sodium;phosphane;2-(2,4,6-trimethylbenzoyl)phenolate
CID 146418297
lithium;hydride;(2-phosphanylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 173243819
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
(2,6-dichlorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337573
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(2-bromo-5-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 81110554
(2,3-diethoxy-4-phosphorosophenyl)-(2,4,6-trimethylphenyl)methanone
CID 66682263
(2,3-dichlorophenyl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883356
(2,5-dimethylthiophen-3-yl)-(2,4,6-trimethylphenyl)methanone
CID 43339486
[2-[2,6-dimethyl-4-(2-methylpropyl)benzoyl]-3-phosphorosophenyl]-[2,6-dimethyl-4-(2-methylpropyl)phenyl]methanone
CID 70096897
benzenesulfonyl 2-(2,4,6-trimethylbenzoyl)benzenesulfonate
CID 54016782
(2,6-dimethoxybenzoyl)-oxo-[2-(2,4,6-trimethylbenzoyl)phenyl]phosphanium
CID 173245685

Frequently Asked Questions

What is the IUPAC name of [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The IUPAC name of [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone (CID 172735368) is [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone.
What is the SMILES notation for [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The canonical SMILES for [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cccc(C(=O)c3c(C)cc(C)cc3C)c2P=O)c(C)c1.
What is the InChIKey of [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
The InChIKey is GZEBVOSFYYECRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25O3P/c1-14-10-16(3)22(17(4)11-14)24(27)20-8-7-9-21(26(20)30-29)25(28)23-18(5)12-15(2)13-19(23)6/h7-13H,1-6H3.
What are the key properties of [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone?
[2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone has a molecular weight of 416.46 g/mol, XLogP of 5.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-phosphoroso-3-(2,4,6-trimethylbenzoyl)phenyl]-(2,4,6-trimethylphenyl)methanone is sourced from PubChem (CID 172735368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).