6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid

C30H20Cl2N2O2 — CID 127035027

IUPAC6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C30H20Cl2N2O2/c31-20-12-10-18(11-13-20)17-34-25-9-5-4-8-23(25)26(19-6-2-1-3-7-19)29(34)27-22-15-14-21(32)16-24(22)33-28(27)30(35)36/h1-16,33H,17H2,(H,35,36)
InChIKeyBCVQFRDWOARAGY-UHFFFAOYSA-N
MW511.41 g/mol
LogP8.51
Rot. Bonds5

About 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid

6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid (PubChem CID 127035027) has the molecular formula C30H20Cl2N2O2 and a molecular weight of 511.41 g/mol. Its IUPAC name is 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid
PubChem CID127035027
Molecular FormulaC30H20Cl2N2O2
Molecular Weight511.41 g/mol
Exact Mass510.09
IUPAC Name6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid
SMILESO=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1
InChIInChI=1S/C30H20Cl2N2O2/c31-20-12-10-18(11-13-20)17-34-25-9-5-4-8-23(25)26(19-6-2-1-3-7-19)29(34)27-22-15-14-21(32)16-24(22)33-28(27)30(35)36/h1-16,33H,17H2,(H,35,36)
InChIKeyBCVQFRDWOARAGY-UHFFFAOYSA-N
XLogP8.51
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.41
LogP ≤ 58.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid 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 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid?
The IUPAC name of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid (CID 127035027) is 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid is O=C(O)c1[nH]c2cc(Cl)ccc2c1-c1c(-c2ccccc2)c2ccccc2n1Cc1ccc(Cl)cc1.
What is the InChIKey of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid?
The InChIKey is BCVQFRDWOARAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H20Cl2N2O2/c31-20-12-10-18(11-13-20)17-34-25-9-5-4-8-23(25)26(19-6-2-1-3-7-19)29(34)27-22-15-14-21(32)16-24(22)33-28(27)30(35)36/h1-16,33H,17H2,(H,35,36).
What are the key properties of 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid?
6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid has a molecular weight of 511.41 g/mol, XLogP of 8.51, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[1-[(4-chlorophenyl)methyl]-3-phenylindol-2-yl]-1H-indole-2-carboxylic acid is sourced from PubChem (CID 127035027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).