2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione

C38H36N2O2S2Si2 — CID 132512908

IUPAC2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCN1C(=O)C2=C(c3ccc(-c4ccc(C#C[Si](C)(C)C)s4)cc3)N(C)C(=O)C2=C1c1ccc(-c2ccc(C#C[Si](C)(C)C)s2)cc1
InChIInChI=1S/C38H36N2O2S2Si2/c1-39-35(27-13-9-25(10-14-27)31-19-17-29(43-31)21-23-45(3,4)5)33-34(37(39)41)36(40(2)38(33)42)28-15-11-26(12-16-28)32-20-18-30(44-32)22-24-46(6,7)8/h9-20H,1-8H3
InChIKeyFIHRYTZJNKXNSI-UHFFFAOYSA-N
MW673.02 g/mol
LogP8.67
Rot. Bonds4

About 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione

2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione (PubChem CID 132512908) has the molecular formula C38H36N2O2S2Si2 and a molecular weight of 673.02 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione.

Molecular Properties

Compound Name2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione
PubChem CID132512908
Molecular FormulaC38H36N2O2S2Si2
Molecular Weight673.02 g/mol
Exact Mass672.18
IUPAC Name2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione
SMILESCN1C(=O)C2=C(c3ccc(-c4ccc(C#C[Si](C)(C)C)s4)cc3)N(C)C(=O)C2=C1c1ccc(-c2ccc(C#C[Si](C)(C)C)s2)cc1
InChIInChI=1S/C38H36N2O2S2Si2/c1-39-35(27-13-9-25(10-14-27)31-19-17-29(43-31)21-23-45(3,4)5)33-34(37(39)41)36(40(2)38(33)42)28-15-11-26(12-16-28)32-20-18-30(44-32)22-24-46(6,7)8/h9-20H,1-8H3
InChIKeyFIHRYTZJNKXNSI-UHFFFAOYSA-N
XLogP8.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.02
LogP ≤ 58.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[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 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione?
The IUPAC name of 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione (CID 132512908) is 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione.
What is the SMILES notation for 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione?
The canonical SMILES for 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione is CN1C(=O)C2=C(c3ccc(-c4ccc(C#C[Si](C)(C)C)s4)cc3)N(C)C(=O)C2=C1c1ccc(-c2ccc(C#C[Si](C)(C)C)s2)cc1.
What is the InChIKey of 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione?
The InChIKey is FIHRYTZJNKXNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H36N2O2S2Si2/c1-39-35(27-13-9-25(10-14-27)31-19-17-29(43-31)21-23-45(3,4)5)33-34(37(39)41)36(40(2)38(33)42)28-15-11-26(12-16-28)32-20-18-30(44-32)22-24-46(6,7)8/h9-20H,1-8H3.
What are the key properties of 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione?
2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione has a molecular weight of 673.02 g/mol, XLogP of 8.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-bis[4-[5-(2-trimethylsilylethynyl)thiophen-2-yl]phenyl]pyrrolo[3,4-c]pyrrole-3,6-dione is sourced from PubChem (CID 132512908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).