[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone

C24H15Cl3O — CID 56610073

IUPAC[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2cccc3ccccc23)ccc1C(Cl)(Cl)Cl
InChIInChI=1S/C24H15Cl3O/c25-24(26,27)22-14-13-18(15-21(22)23(28)17-8-2-1-3-9-17)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H
InChIKeyWAXLSZNWKXDHGJ-UHFFFAOYSA-N
MW425.74 g/mol
LogP7.56
Rot. Bonds3

About [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone

[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone (PubChem CID 56610073) has the molecular formula C24H15Cl3O and a molecular weight of 425.74 g/mol. Its IUPAC name is [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone
PubChem CID56610073
Molecular FormulaC24H15Cl3O
Molecular Weight425.74 g/mol
Exact Mass424.02
IUPAC Name[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(-c2cccc3ccccc23)ccc1C(Cl)(Cl)Cl
InChIInChI=1S/C24H15Cl3O/c25-24(26,27)22-14-13-18(15-21(22)23(28)17-8-2-1-3-9-17)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H
InChIKeyWAXLSZNWKXDHGJ-UHFFFAOYSA-N
XLogP7.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.74
LogP ≤ 57.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-naphthalen-1-ylbenzoic acid
CID 2760151
6-naphthalen-1-ylnaphthalene-2-carboxylic acid
CID 57264247
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
[2-(3-chlorophenyl)phenyl]-phenylmethanone
CID 174644263
2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-naphthalen-2-ylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(3-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one;2,3-dihydroxy-6-methyl-5-(4-phenylbenzoyl)cyclohepta-2,4,6-trien-1-one
CID 161243392
2,3-dihydroxy-6-methyl-5-(3-naphthalen-1-ylbenzoyl)cyclohepta-2,4,6-trien-1-one
CID 137119475
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
N-[4-(2-chlorophenyl)-2-(2-hydroxy-4-naphthalen-1-ylphenyl)-1,3-oxazol-5-yl]benzamide
CID 139918004
2-naphthalen-1-ylanthracene
CID 2748705
phenanthren-2-yl(phenyl)methanone
CID 131857195
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
CID 67114355

Frequently Asked Questions

What is the IUPAC name of [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone?
The IUPAC name of [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone (CID 56610073) is [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone.
What is the SMILES notation for [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone?
The canonical SMILES for [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone is O=C(c1ccccc1)c1cc(-c2cccc3ccccc23)ccc1C(Cl)(Cl)Cl.
What is the InChIKey of [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone?
The InChIKey is WAXLSZNWKXDHGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl3O/c25-24(26,27)22-14-13-18(15-21(22)23(28)17-8-2-1-3-9-17)20-12-6-10-16-7-4-5-11-19(16)20/h1-15H.
What are the key properties of [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone?
[5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone has a molecular weight of 425.74 g/mol, XLogP of 7.56, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [5-naphthalen-1-yl-2-(trichloromethyl)phenyl]-phenylmethanone is sourced from PubChem (CID 56610073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).