[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone

C40H24O4S4 — CID 74766026

IUPAC[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1.O=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1
InChIInChI=1S/2C20H12O2S2/c2*21-19(17-7-3-9-23-17)15-11-13-5-1-2-6-14(13)12-16(15)20(22)18-8-4-10-24-18/h2*1-12H
InChIKeyOYQPTDJTRSRCEI-UHFFFAOYSA-N
MW696.90 g/mol
LogP10.85
Rot. Bonds8

About [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone

[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone (PubChem CID 74766026) has the molecular formula C40H24O4S4 and a molecular weight of 696.90 g/mol. Its IUPAC name is [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
PubChem CID74766026
Molecular FormulaC40H24O4S4
Molecular Weight696.90 g/mol
Exact Mass696.06
IUPAC Name[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1.O=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1
InChIInChI=1S/2C20H12O2S2/c2*21-19(17-7-3-9-23-17)15-11-13-5-1-2-6-14(13)12-16(15)20(22)18-8-4-10-24-18/h2*1-12H
InChIKeyOYQPTDJTRSRCEI-UHFFFAOYSA-N
XLogP10.85
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.90
LogP ≤ 510.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone (CID 74766026) is [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1.O=C(c1cccs1)c1cc2ccccc2cc1C(=O)c1cccs1.
What is the InChIKey of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
The InChIKey is OYQPTDJTRSRCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C20H12O2S2/c2*21-19(17-7-3-9-23-17)15-11-13-5-1-2-6-14(13)12-16(15)20(22)18-8-4-10-24-18/h2*1-12H.
What are the key properties of [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone?
[3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone has a molecular weight of 696.90 g/mol, XLogP of 10.85, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(thiophene-2-carbonyl)naphthalen-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 74766026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).