3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole

C36H32N6 — CID 163703385

IUPAC3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole
SMILESCc1cc(C)n(-c2ccc3c(c2)C2C(c4cc(-n5nc(C)cc5C)ccc4N2c2ccccc2)N3c2ccccc2)n1
InChIInChI=1S/C36H32N6/c1-23-19-25(3)41(37-23)29-15-17-33-31(21-29)35-36(39(33)27-11-7-5-8-12-27)32-22-30(42-26(4)20-24(2)38-42)16-18-34(32)40(35)28-13-9-6-10-14-28/h5-22,35-36H,1-4H3
InChIKeyKCYXYTWBTZYBMD-UHFFFAOYSA-N
MW548.69 g/mol
LogP8.38
Rot. Bonds4

About 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole

3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole (PubChem CID 163703385) has the molecular formula C36H32N6 and a molecular weight of 548.69 g/mol. Its IUPAC name is 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole.

Molecular Properties

Compound Name3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole
PubChem CID163703385
Molecular FormulaC36H32N6
Molecular Weight548.69 g/mol
Exact Mass548.27
IUPAC Name3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole
SMILESCc1cc(C)n(-c2ccc3c(c2)C2C(c4cc(-n5nc(C)cc5C)ccc4N2c2ccccc2)N3c2ccccc2)n1
InChIInChI=1S/C36H32N6/c1-23-19-25(3)41(37-23)29-15-17-33-31(21-29)35-36(39(33)27-11-7-5-8-12-27)32-22-30(42-26(4)20-24(2)38-42)16-18-34(32)40(35)28-13-9-6-10-14-28/h5-22,35-36H,1-4H3
InChIKeyKCYXYTWBTZYBMD-UHFFFAOYSA-N
XLogP8.38
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500548.69
LogP ≤ 58.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole 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 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole?
The IUPAC name of 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole (CID 163703385) is 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole.
What is the SMILES notation for 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole?
The canonical SMILES for 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole is Cc1cc(C)n(-c2ccc3c(c2)C2C(c4cc(-n5nc(C)cc5C)ccc4N2c2ccccc2)N3c2ccccc2)n1.
What is the InChIKey of 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole?
The InChIKey is KCYXYTWBTZYBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32N6/c1-23-19-25(3)41(37-23)29-15-17-33-31(21-29)35-36(39(33)27-11-7-5-8-12-27)32-22-30(42-26(4)20-24(2)38-42)16-18-34(32)40(35)28-13-9-6-10-14-28/h5-22,35-36H,1-4H3.
What are the key properties of 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole?
3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole has a molecular weight of 548.69 g/mol, XLogP of 8.38, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-bis(3,5-dimethylpyrazol-1-yl)-5,10-diphenyl-4b,9b-dihydroindolo[3,2-b]indole is sourced from PubChem (CID 163703385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).