5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide

C25H19NS — CID 10338870

IUPAC5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide
SMILESc1ccc(C[n+]2cc3c(-c4ccccc4)s[c-](-c4ccccc4)c-3c2)cc1
InChIInChI=1S/C25H19NS/c1-4-10-19(11-5-1)16-26-17-22-23(18-26)25(21-14-8-3-9-15-21)27-24(22)20-12-6-2-7-13-20/h1-15,17-18H,16H2
InChIKeyHGVTVONGNQSRNR-UHFFFAOYSA-N
MW365.50 g/mol
LogP6.24
Rot. Bonds4

About 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide

5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide (PubChem CID 10338870) has the molecular formula C25H19NS and a molecular weight of 365.50 g/mol. Its IUPAC name is 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide.

Molecular Properties

Compound Name5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide
PubChem CID10338870
Molecular FormulaC25H19NS
Molecular Weight365.50 g/mol
Exact Mass365.12
IUPAC Name5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide
SMILESc1ccc(C[n+]2cc3c(-c4ccccc4)s[c-](-c4ccccc4)c-3c2)cc1
InChIInChI=1S/C25H19NS/c1-4-10-19(11-5-1)16-26-17-22-23(18-26)25(21-14-8-3-9-15-21)27-24(22)20-12-6-2-7-13-20/h1-15,17-18H,16H2
InChIKeyHGVTVONGNQSRNR-UHFFFAOYSA-N
XLogP6.24
TPSA3.88 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide 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

4-[2-(4-Fluorophenyl)-4-(3-phenylpropyl)thiophen-3-yl]pyridine
CID 118911859
2-(4-Methylmercaptophenyl)-1-phenyl-6,7-dihydro-5h-pyrrolizine
CID 9815015
7-(4-methylphenyl)-6-(4-methylsulfanylphenyl)-2,3-dihydro-1H-pyrrolizine
CID 10403690
6-(5-methylthiophen-2-yl)-7-phenyl-2,3-dihydro-1H-pyrrolizine
CID 10869663
7-phenyl-6-thiophen-2-yl-2,3-dihydro-1H-pyrrolizine
CID 11129225
3,4-Diphenyl-1-(2-phenylethyl)pyrrole
CID 10426366
4-[2-(4-Fluorophenyl)-5-methyl-4-(3-phenylpropyl)thiophen-3-yl]pyridine
CID 130445387
2-Tert-butyl-[1]benzothiolo[2,3-c]pyrrole
CID 12101672
2-[10-[4,5-Bis(butylsulfanyl)-1,3-dithiol-2-ylidene]anthracen-9-ylidene]-5-methyl-[1,3]dithiolo[4,5-c]pyrrole
CID 11767241
3-[1-(4,5-Dimethylthiophen-2-yl)cyclohexyl]-1-methylpyrrole
CID 102295550
1-Benzyl-4-methyl-3-phenyl-2-thiophen-2-ylpyrrole
CID 134951018
2-Methyl-1,3-diphenyl-4-thiophen-2-ylpyrrole
CID 138978107

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide?
The IUPAC name of 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide (CID 10338870) is 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide.
What is the SMILES notation for 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide?
The canonical SMILES for 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide is c1ccc(C[n+]2cc3c(-c4ccccc4)s[c-](-c4ccccc4)c-3c2)cc1.
What is the InChIKey of 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide?
The InChIKey is HGVTVONGNQSRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19NS/c1-4-10-19(11-5-1)16-26-17-22-23(18-26)25(21-14-8-3-9-15-21)27-24(22)20-12-6-2-7-13-20/h1-15,17-18H,16H2.
What are the key properties of 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide?
5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide has a molecular weight of 365.50 g/mol, XLogP of 6.24, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1,3-diphenylthieno[3,4-c]pyrrol-5-ium-1-ide is sourced from PubChem (CID 10338870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).