(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone

C31H20O3 — CID 67114355

IUPAC(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ccccc2c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C31H20O3/c32-29(21-12-4-1-5-13-21)26-20-24-18-10-11-19-25(24)27(30(33)22-14-6-2-7-15-22)28(26)31(34)23-16-8-3-9-17-23/h1-20H
InChIKeyMRIVFFVYZJUJCX-UHFFFAOYSA-N
MW440.50 g/mol
LogP6.53
Rot. Bonds6

About (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone

(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone (PubChem CID 67114355) has the molecular formula C31H20O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
PubChem CID67114355
Molecular FormulaC31H20O3
Molecular Weight440.50 g/mol
Exact Mass440.14
IUPAC Name(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc2ccccc2c(C(=O)c2ccccc2)c1C(=O)c1ccccc1
InChIInChI=1S/C31H20O3/c32-29(21-12-4-1-5-13-21)26-20-24-18-10-11-19-25(24)27(30(33)22-14-6-2-7-15-22)28(26)31(34)23-16-8-3-9-17-23/h1-20H
InChIKeyMRIVFFVYZJUJCX-UHFFFAOYSA-N
XLogP6.53
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.50
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-benzoylnaphthalen-2-yl)ethanone
CID 11311862
naphthalene-1,2,3-tricarboxylic acid;titanium
CID 158850397
5-benzoylbenzene-1,2,3,4-tetracarboxylic acid
CID 19877064
anthracene;diphenylmethanone
CID 87408663
phenanthren-2-yl(phenyl)methanone
CID 131857195
diphenylmethanone;naphthalene-1,2,3,4-tetracarboxylic acid
CID 70582995
2-[4-(anthracene-9-carbonyl)pyridin-1-ium-1-yl]-1-phenylethanone
CID 139731824
(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
1,2-dimethylhydrazine;diphenylmethanone;phenanthrene
CID 160628551
sodium;5-benzoylbenzene-1,2,3,4-tetracarboxylic acid;hydride
CID 173228711
indolo[1,2-a]quinolin-6-yl(phenyl)methanone
CID 102044389
(3-methoxynaphthalen-2-yl)-phenylmethanone
CID 15855764

Frequently Asked Questions

What is the IUPAC name of (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone?
The IUPAC name of (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone (CID 67114355) is (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone.
What is the SMILES notation for (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone?
The canonical SMILES for (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1cc2ccccc2c(C(=O)c2ccccc2)c1C(=O)c1ccccc1.
What is the InChIKey of (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone?
The InChIKey is MRIVFFVYZJUJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20O3/c32-29(21-12-4-1-5-13-21)26-20-24-18-10-11-19-25(24)27(30(33)22-14-6-2-7-15-22)28(26)31(34)23-16-8-3-9-17-23/h1-20H.
What are the key properties of (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone?
(3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone has a molecular weight of 440.50 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dibenzoylnaphthalen-2-yl)-phenylmethanone is sourced from PubChem (CID 67114355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).