5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione

C32H38N2O2S — CID 126590850

IUPAC5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCC(C)(C)c1ccc2c3ccc(-c4sc(C(C)(C)CC)c5c4C(=O)N(C)C5=O)cc3n(C(C)C)c2c1
InChIInChI=1S/C32H38N2O2S/c1-10-31(5,6)20-13-15-22-21-14-12-19(16-23(21)34(18(3)4)24(22)17-20)27-25-26(30(36)33(9)29(25)35)28(37-27)32(7,8)11-2/h12-18H,10-11H2,1-9H3
InChIKeyGFRIIYHSYTVHAV-UHFFFAOYSA-N
MW514.74 g/mol
LogP8.70
Rot. Bonds6

About 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione

5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione (PubChem CID 126590850) has the molecular formula C32H38N2O2S and a molecular weight of 514.74 g/mol. Its IUPAC name is 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione.

Molecular Properties

Compound Name5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione
PubChem CID126590850
Molecular FormulaC32H38N2O2S
Molecular Weight514.74 g/mol
Exact Mass514.27
IUPAC Name5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione
SMILESCCC(C)(C)c1ccc2c3ccc(-c4sc(C(C)(C)CC)c5c4C(=O)N(C)C5=O)cc3n(C(C)C)c2c1
InChIInChI=1S/C32H38N2O2S/c1-10-31(5,6)20-13-15-22-21-14-12-19(16-23(21)34(18(3)4)24(22)17-20)27-25-26(30(36)33(9)29(25)35)28(37-27)32(7,8)11-2/h12-18H,10-11H2,1-9H3
InChIKeyGFRIIYHSYTVHAV-UHFFFAOYSA-N
XLogP8.70
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.74
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-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 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione?
The IUPAC name of 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione (CID 126590850) is 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione.
What is the SMILES notation for 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione?
The canonical SMILES for 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione is CCC(C)(C)c1ccc2c3ccc(-c4sc(C(C)(C)CC)c5c4C(=O)N(C)C5=O)cc3n(C(C)C)c2c1.
What is the InChIKey of 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione?
The InChIKey is GFRIIYHSYTVHAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O2S/c1-10-31(5,6)20-13-15-22-21-14-12-19(16-23(21)34(18(3)4)24(22)17-20)27-25-26(30(36)33(9)29(25)35)28(37-27)32(7,8)11-2/h12-18H,10-11H2,1-9H3.
What are the key properties of 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione?
5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione has a molecular weight of 514.74 g/mol, XLogP of 8.70, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methylbutan-2-yl)-1-[7-(2-methylbutan-2-yl)-9-propan-2-ylcarbazol-2-yl]thieno[3,4-c]pyrrole-4,6-dione is sourced from PubChem (CID 126590850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).