3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole

C27H21ClN2 — CID 147197699

IUPAC3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole
SMILESCc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(Cl)cc3C1(c1ccccc1)N2
InChIInChI=1S/C27H21ClN2/c1-18-12-14-24-22(16-18)26(19-8-4-2-5-9-19)27(29-24,20-10-6-3-7-11-20)23-17-21(28)13-15-25(23)30-26/h2-17,29-30H,1H3
InChIKeyCCRXKSATKNATES-UHFFFAOYSA-N
MW408.93 g/mol
LogP6.69
Rot. Bonds2

About 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole

3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole (PubChem CID 147197699) has the molecular formula C27H21ClN2 and a molecular weight of 408.93 g/mol. Its IUPAC name is 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole.

Molecular Properties

Compound Name3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole
PubChem CID147197699
Molecular FormulaC27H21ClN2
Molecular Weight408.93 g/mol
Exact Mass408.14
IUPAC Name3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole
SMILESCc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(Cl)cc3C1(c1ccccc1)N2
InChIInChI=1S/C27H21ClN2/c1-18-12-14-24-22(16-18)26(19-8-4-2-5-9-19)27(29-24,20-10-6-3-7-11-20)23-17-21(28)13-15-25(23)30-26/h2-17,29-30H,1H3
InChIKeyCCRXKSATKNATES-UHFFFAOYSA-N
XLogP6.69
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.93
LogP ≤ 56.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-chloro-8-methyl-4b,9b-diphenyl-5,10-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-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole?
The IUPAC name of 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole (CID 147197699) is 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole.
What is the SMILES notation for 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole?
The canonical SMILES for 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole is Cc1ccc2c(c1)C1(c3ccccc3)Nc3ccc(Cl)cc3C1(c1ccccc1)N2.
What is the InChIKey of 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole?
The InChIKey is CCRXKSATKNATES-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClN2/c1-18-12-14-24-22(16-18)26(19-8-4-2-5-9-19)27(29-24,20-10-6-3-7-11-20)23-17-21(28)13-15-25(23)30-26/h2-17,29-30H,1H3.
What are the key properties of 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole?
3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole has a molecular weight of 408.93 g/mol, XLogP of 6.69, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-8-methyl-4b,9b-diphenyl-5,10-dihydroindolo[3,2-b]indole is sourced from PubChem (CID 147197699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).