1-(4-phenylphenyl)benzo[cd]indole-2-thione

C23H15NS — CID 630715

IUPAC1-(4-phenylphenyl)benzo[cd]indole-2-thione
SMILESS=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15NS/c25-23-20-10-4-8-18-9-5-11-21(22(18)20)24(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H
InChIKeyMUHQHURDDWQVAY-UHFFFAOYSA-N
MW337.45 g/mol
LogP6.33
Rot. Bonds2

About 1-(4-phenylphenyl)benzo[cd]indole-2-thione

1-(4-phenylphenyl)benzo[cd]indole-2-thione (PubChem CID 630715) has the molecular formula C23H15NS and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-(4-phenylphenyl)benzo[cd]indole-2-thione.

Molecular Properties

Compound Name1-(4-phenylphenyl)benzo[cd]indole-2-thione
PubChem CID630715
Molecular FormulaC23H15NS
Molecular Weight337.45 g/mol
Exact Mass337.09
IUPAC Name1-(4-phenylphenyl)benzo[cd]indole-2-thione
SMILESS=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C23H15NS/c25-23-20-10-4-8-18-9-5-11-21(22(18)20)24(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H
InChIKeyMUHQHURDDWQVAY-UHFFFAOYSA-N
XLogP6.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.45
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-(4-phenylphenyl)benzo[cd]indole-2-thione 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 1-(4-phenylphenyl)benzo[cd]indole-2-thione?
The IUPAC name of 1-(4-phenylphenyl)benzo[cd]indole-2-thione (CID 630715) is 1-(4-phenylphenyl)benzo[cd]indole-2-thione.
What is the SMILES notation for 1-(4-phenylphenyl)benzo[cd]indole-2-thione?
The canonical SMILES for 1-(4-phenylphenyl)benzo[cd]indole-2-thione is S=C1c2cccc3cccc(c23)N1c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1-(4-phenylphenyl)benzo[cd]indole-2-thione?
The InChIKey is MUHQHURDDWQVAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NS/c25-23-20-10-4-8-18-9-5-11-21(22(18)20)24(23)19-14-12-17(13-15-19)16-6-2-1-3-7-16/h1-15H.
What are the key properties of 1-(4-phenylphenyl)benzo[cd]indole-2-thione?
1-(4-phenylphenyl)benzo[cd]indole-2-thione has a molecular weight of 337.45 g/mol, XLogP of 6.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylphenyl)benzo[cd]indole-2-thione is sourced from PubChem (CID 630715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).