9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole

C30H21NS4 — CID 57379520

IUPAC9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole
SMILESCCn1c2ccc(-c3ccc(-c4cccs4)s3)cc2c2cc(-c3ccc(-c4cccs4)s3)ccc21
InChIInChI=1S/C30H21NS4/c1-2-31-23-9-7-19(25-11-13-29(34-25)27-5-3-15-32-27)17-21(23)22-18-20(8-10-24(22)31)26-12-14-30(35-26)28-6-4-16-33-28/h3-18H,2H2,1H3
InChIKeyMMRAPQANLFWTGO-UHFFFAOYSA-N
MW523.77 g/mol
LogP10.73
Rot. Bonds5

About 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole

9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole (PubChem CID 57379520) has the molecular formula C30H21NS4 and a molecular weight of 523.77 g/mol. Its IUPAC name is 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole.

Molecular Properties

Compound Name9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole
PubChem CID57379520
Molecular FormulaC30H21NS4
Molecular Weight523.77 g/mol
Exact Mass523.06
IUPAC Name9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole
SMILESCCn1c2ccc(-c3ccc(-c4cccs4)s3)cc2c2cc(-c3ccc(-c4cccs4)s3)ccc21
InChIInChI=1S/C30H21NS4/c1-2-31-23-9-7-19(25-11-13-29(34-25)27-5-3-15-32-27)17-21(23)22-18-20(8-10-24(22)31)26-12-14-30(35-26)28-6-4-16-33-28/h3-18H,2H2,1H3
InChIKeyMMRAPQANLFWTGO-UHFFFAOYSA-N
XLogP10.73
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.77
LogP ≤ 510.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole 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 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole?
The IUPAC name of 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole (CID 57379520) is 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole.
What is the SMILES notation for 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole?
The canonical SMILES for 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole is CCn1c2ccc(-c3ccc(-c4cccs4)s3)cc2c2cc(-c3ccc(-c4cccs4)s3)ccc21.
What is the InChIKey of 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole?
The InChIKey is MMRAPQANLFWTGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H21NS4/c1-2-31-23-9-7-19(25-11-13-29(34-25)27-5-3-15-32-27)17-21(23)22-18-20(8-10-24(22)31)26-12-14-30(35-26)28-6-4-16-33-28/h3-18H,2H2,1H3.
What are the key properties of 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole?
9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole has a molecular weight of 523.77 g/mol, XLogP of 10.73, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethyl-3,6-bis(5-thiophen-2-ylthiophen-2-yl)carbazole is sourced from PubChem (CID 57379520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).