(6-benzoyldibenzothiophen-4-yl)-phenylmethanone

C26H16O2S — CID 141384650

IUPAC(6-benzoyldibenzothiophen-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc2c1sc1c(C(=O)c3ccccc3)cccc12
InChIInChI=1S/C26H16O2S/c27-23(17-9-3-1-4-10-17)21-15-7-13-19-20-14-8-16-22(26(20)29-25(19)21)24(28)18-11-5-2-6-12-18/h1-16H
InChIKeyZXXIWHZMPLQYDG-UHFFFAOYSA-N
MW392.48 g/mol
LogP6.52
Rot. Bonds4

About (6-benzoyldibenzothiophen-4-yl)-phenylmethanone

(6-benzoyldibenzothiophen-4-yl)-phenylmethanone (PubChem CID 141384650) has the molecular formula C26H16O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is (6-benzoyldibenzothiophen-4-yl)-phenylmethanone.

Molecular Properties

Compound Name(6-benzoyldibenzothiophen-4-yl)-phenylmethanone
PubChem CID141384650
Molecular FormulaC26H16O2S
Molecular Weight392.48 g/mol
Exact Mass392.09
IUPAC Name(6-benzoyldibenzothiophen-4-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cccc2c1sc1c(C(=O)c3ccccc3)cccc12
InChIInChI=1S/C26H16O2S/c27-23(17-9-3-1-4-10-17)21-15-7-13-19-20-14-8-16-22(26(20)29-25(19)21)24(28)18-11-5-2-6-12-18/h1-16H
InChIKeyZXXIWHZMPLQYDG-UHFFFAOYSA-N
XLogP6.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

phenyl-(2-sulfanylidene-3H-1,3-benzothiazol-7-yl)methanone
CID 71336948
[6-(4-fluorobenzoyl)dibenzothiophen-3-yl]-(4-fluorophenyl)methanone
CID 139628900
methane;naphthalen-1-yl(phenyl)methanone;sulfuric acid
CID 70453659
2-benzoylbenzoic acid;hydrofluoride
CID 70485904
diphenylmethanone
CID 3102
(1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone
CID 172711114
phenyl-(2-silylphenyl)methanone
CID 137327642
(2-chlorophenyl)-phenylmethanone;diphenylmethanone
CID 157388336
(2-benzoylphenyl)-phenylmethanone;carboxy hydrogen carbonate
CID 173358152
(2-aminophenyl)-phenylmethanone
CID 158207972
naphthalen-1-yl-(4-phenylphenyl)methanone
CID 23218936
9H-carbazole;[2-(9H-carbazol-1-yl)phenyl]-phenylmethanone
CID 175398027

Frequently Asked Questions

What is the IUPAC name of (6-benzoyldibenzothiophen-4-yl)-phenylmethanone?
The IUPAC name of (6-benzoyldibenzothiophen-4-yl)-phenylmethanone (CID 141384650) is (6-benzoyldibenzothiophen-4-yl)-phenylmethanone.
What is the SMILES notation for (6-benzoyldibenzothiophen-4-yl)-phenylmethanone?
The canonical SMILES for (6-benzoyldibenzothiophen-4-yl)-phenylmethanone is O=C(c1ccccc1)c1cccc2c1sc1c(C(=O)c3ccccc3)cccc12.
What is the InChIKey of (6-benzoyldibenzothiophen-4-yl)-phenylmethanone?
The InChIKey is ZXXIWHZMPLQYDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16O2S/c27-23(17-9-3-1-4-10-17)21-15-7-13-19-20-14-8-16-22(26(20)29-25(19)21)24(28)18-11-5-2-6-12-18/h1-16H.
What are the key properties of (6-benzoyldibenzothiophen-4-yl)-phenylmethanone?
(6-benzoyldibenzothiophen-4-yl)-phenylmethanone has a molecular weight of 392.48 g/mol, XLogP of 6.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-benzoyldibenzothiophen-4-yl)-phenylmethanone is sourced from PubChem (CID 141384650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).