2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene

C30H18S6 — CID 15536945

IUPAC2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene
SMILESc1csc(-c2c(-c3cccs3)c(-c3cccs3)c(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C30H18S6/c1-7-19(31-13-1)25-26(20-8-2-14-32-20)28(22-10-4-16-34-22)30(24-12-6-18-36-24)29(23-11-5-17-35-23)27(25)21-9-3-15-33-21/h1-18H
InChIKeyHRMOKPNCSIHUBF-UHFFFAOYSA-N
MW570.88 g/mol
LogP12.06
Rot. Bonds6

About 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene

2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene (PubChem CID 15536945) has the molecular formula C30H18S6 and a molecular weight of 570.88 g/mol. Its IUPAC name is 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene.

Molecular Properties

Compound Name2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene
PubChem CID15536945
Molecular FormulaC30H18S6
Molecular Weight570.88 g/mol
Exact Mass569.97
IUPAC Name2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene
SMILESc1csc(-c2c(-c3cccs3)c(-c3cccs3)c(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1
InChIInChI=1S/C30H18S6/c1-7-19(31-13-1)25-26(20-8-2-14-32-20)28(22-10-4-16-34-22)30(24-12-6-18-36-24)29(23-11-5-17-35-23)27(25)21-9-3-15-33-21/h1-18H
InChIKeyHRMOKPNCSIHUBF-UHFFFAOYSA-N
XLogP12.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.88
LogP ≤ 512.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene 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 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene?
The IUPAC name of 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene (CID 15536945) is 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene.
What is the SMILES notation for 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene?
The canonical SMILES for 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene is c1csc(-c2c(-c3cccs3)c(-c3cccs3)c(-c3cccs3)c(-c3cccs3)c2-c2cccs2)c1.
What is the InChIKey of 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene?
The InChIKey is HRMOKPNCSIHUBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H18S6/c1-7-19(31-13-1)25-26(20-8-2-14-32-20)28(22-10-4-16-34-22)30(24-12-6-18-36-24)29(23-11-5-17-35-23)27(25)21-9-3-15-33-21/h1-18H.
What are the key properties of 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene?
2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene has a molecular weight of 570.88 g/mol, XLogP of 12.06, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4,5,6-pentathiophen-2-ylphenyl)thiophene is sourced from PubChem (CID 15536945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).