(1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone

C32H20O2S — CID 172711114

IUPAC(1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2sc3c(-c4ccccc4)cccc3c2c1C(=O)c1ccccc1
InChIInChI=1S/C32H20O2S/c33-30(22-13-6-2-7-14-22)25-19-20-27-28(29(25)31(34)23-15-8-3-9-16-23)26-18-10-17-24(32(26)35-27)21-11-4-1-5-12-21/h1-20H
InChIKeyFGKXXLMUXAXXTN-UHFFFAOYSA-N
MW468.58 g/mol
LogP8.18
Rot. Bonds5

About (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone

(1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone (PubChem CID 172711114) has the molecular formula C32H20O2S and a molecular weight of 468.58 g/mol. Its IUPAC name is (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone.

Molecular Properties

Compound Name(1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone
PubChem CID172711114
Molecular FormulaC32H20O2S
Molecular Weight468.58 g/mol
Exact Mass468.12
IUPAC Name(1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc2sc3c(-c4ccccc4)cccc3c2c1C(=O)c1ccccc1
InChIInChI=1S/C32H20O2S/c33-30(22-13-6-2-7-14-22)25-19-20-27-28(29(25)31(34)23-15-8-3-9-16-23)26-18-10-17-24(32(26)35-27)21-11-4-1-5-12-21/h1-20H
InChIKeyFGKXXLMUXAXXTN-UHFFFAOYSA-N
XLogP8.18
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 58.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-benzoyl-6-phenylbenzoic acid
CID 174388121
6-phenyldibenzothiophen-1-amine
CID 154950359
(6-benzoyldibenzothiophen-4-yl)-phenylmethanone
CID 141384650
4-[4-(4-phenylphenyl)phenyl]dibenzothiophene
CID 118398729
phenyl-[2-(2-phenylbenzoyl)phenyl]methanone
CID 141429590
phenyl-(3-phenyl-2-sulfanylphenyl)methanone
CID 175169753
N-[4-(9,14-dithiapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15,17,19-nonaen-7-yl)phenyl]-N-phenyl-4-(4-phenylphenyl)aniline
CID 153300486
phenyl-[2-(2-phenylphenyl)phenyl]methanone;sulfane
CID 174608573
4-phenylthioxanthene-9-thione
CID 175479915
[2-benzoyl-3,4-bis(2,3-dibenzoylphenyl)phenyl]-phenylmethanone
CID 68746067
phenyl-(4-phenylthiophen-3-yl)methanone
CID 10730343
6-chloro-1-(2-phenylphenyl)dibenzothiophene
CID 176630481

Frequently Asked Questions

What is the IUPAC name of (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone?
The IUPAC name of (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone (CID 172711114) is (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone.
What is the SMILES notation for (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone?
The canonical SMILES for (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone is O=C(c1ccccc1)c1ccc2sc3c(-c4ccccc4)cccc3c2c1C(=O)c1ccccc1.
What is the InChIKey of (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone?
The InChIKey is FGKXXLMUXAXXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H20O2S/c33-30(22-13-6-2-7-14-22)25-19-20-27-28(29(25)31(34)23-15-8-3-9-16-23)26-18-10-17-24(32(26)35-27)21-11-4-1-5-12-21/h1-20H.
What are the key properties of (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone?
(1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone has a molecular weight of 468.58 g/mol, XLogP of 8.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzoyl-6-phenyldibenzothiophen-2-yl)-phenylmethanone is sourced from PubChem (CID 172711114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).