4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione

C36H22N4O2S2 — CID 134255387

IUPAC4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=C1NC(c2ccc(-c3cc4cc5c(ccn5-c5ccccc5)cc4n3-c3ccccc3)s2)=C2C(=O)NC(c3cccs3)=C12
InChIInChI=1S/C36H22N4O2S2/c41-35-31-32(36(42)37-33(31)29-12-7-17-43-29)34(38-35)30-14-13-28(44-30)27-20-22-19-25-21(15-16-39(25)23-8-3-1-4-9-23)18-26(22)40(27)24-10-5-2-6-11-24/h1-20H,(H,37,42)(H,38,41)
InChIKeyBCJISLYBGJKQDZ-UHFFFAOYSA-N
MW606.73 g/mol
LogP7.75
Rot. Bonds5

About 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione

4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 134255387) has the molecular formula C36H22N4O2S2 and a molecular weight of 606.73 g/mol. Its IUPAC name is 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID134255387
Molecular FormulaC36H22N4O2S2
Molecular Weight606.73 g/mol
Exact Mass606.12
IUPAC Name4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione
SMILESO=C1NC(c2ccc(-c3cc4cc5c(ccn5-c5ccccc5)cc4n3-c3ccccc3)s2)=C2C(=O)NC(c3cccs3)=C12
InChIInChI=1S/C36H22N4O2S2/c41-35-31-32(36(42)37-33(31)29-12-7-17-43-29)34(38-35)30-14-13-28(44-30)27-20-22-19-25-21(15-16-39(25)23-8-3-1-4-9-23)18-26(22)40(27)24-10-5-2-6-11-24/h1-20H,(H,37,42)(H,38,41)
InChIKeyBCJISLYBGJKQDZ-UHFFFAOYSA-N
XLogP7.75
TPSA68.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.73
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}

Analyze 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione 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 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione (CID 134255387) is 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione is O=C1NC(c2ccc(-c3cc4cc5c(ccn5-c5ccccc5)cc4n3-c3ccccc3)s2)=C2C(=O)NC(c3cccs3)=C12.
What is the InChIKey of 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is BCJISLYBGJKQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H22N4O2S2/c41-35-31-32(36(42)37-33(31)29-12-7-17-43-29)34(38-35)30-14-13-28(44-30)27-20-22-19-25-21(15-16-39(25)23-8-3-1-4-9-23)18-26(22)40(27)24-10-5-2-6-11-24/h1-20H,(H,37,42)(H,38,41).
What are the key properties of 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione?
4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 606.73 g/mol, XLogP of 7.75, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1,5-diphenylpyrrolo[2,3-f]indol-2-yl)thiophen-2-yl]-1-thiophen-2-yl-2,5-dihydropyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 134255387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).