(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone

C26H20O2 — CID 5259949

IUPAC(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone
SMILESCc1ccc2ccc(C)c(C(=O)c3ccccc3)c2c1C(=O)c1ccccc1
InChIInChI=1S/C26H20O2/c1-17-13-15-19-16-14-18(2)23(26(28)21-11-7-4-8-12-21)24(19)22(17)25(27)20-9-5-3-6-10-20/h3-16H,1-2H3
InChIKeyKOBRBUSNHWVJJK-UHFFFAOYSA-N
MW364.44 g/mol
LogP5.92
Rot. Bonds4

About (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone

(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone (PubChem CID 5259949) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone
PubChem CID5259949
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone
SMILESCc1ccc2ccc(C)c(C(=O)c3ccccc3)c2c1C(=O)c1ccccc1
InChIInChI=1S/C26H20O2/c1-17-13-15-19-16-14-18(2)23(26(28)21-11-7-4-8-12-21)24(19)22(17)25(27)20-9-5-3-6-10-20/h3-16H,1-2H3
InChIKeyKOBRBUSNHWVJJK-UHFFFAOYSA-N
XLogP5.92
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl-(2,3,6-trimethylphenyl)methanone
CID 14151231
(8-benzoyl-2,7-dihydroxynaphthalen-1-yl)-phenylmethanone
CID 139061724
(8-benzoyl-2,7-diphenoxynaphthalen-1-yl)-phenylmethanone
CID 139086935
(1,8-dibenzoyl-7-benzoyloxynaphthalen-2-yl) benzoate
CID 139084342
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
(4-bromophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 81430357
(2,3-dibenzoylpyren-1-yl)-phenylmethanone
CID 87274326
(4-chlorophenyl)-(2-methylnaphthalen-1-yl)methanone
CID 71481457
(4-benzoyl-2,5-dimethyl-1H-pyrrol-3-yl)-phenylmethanone
CID 86183747
(2-methylnaphthalen-1-yl)-(3-methylphenyl)methanone
CID 12536557

Frequently Asked Questions

What is the IUPAC name of (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone?
The IUPAC name of (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone (CID 5259949) is (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone.
What is the SMILES notation for (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone?
The canonical SMILES for (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone is Cc1ccc2ccc(C)c(C(=O)c3ccccc3)c2c1C(=O)c1ccccc1.
What is the InChIKey of (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone?
The InChIKey is KOBRBUSNHWVJJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c1-17-13-15-19-16-14-18(2)23(26(28)21-11-7-4-8-12-21)24(19)22(17)25(27)20-9-5-3-6-10-20/h3-16H,1-2H3.
What are the key properties of (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone?
(8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone has a molecular weight of 364.44 g/mol, XLogP of 5.92, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8-benzoyl-2,7-dimethylnaphthalen-1-yl)-phenylmethanone is sourced from PubChem (CID 5259949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).