2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole

C29H20Cl2N2 — CID 127035024

IUPAC2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole
SMILESClc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H20Cl2N2/c30-21-12-10-19(11-13-21)18-33-27-9-5-4-8-24(27)28(20-6-2-1-3-7-20)29(33)25-17-32-26-16-22(31)14-15-23(25)26/h1-17,32H,18H2
InChIKeyCMHGPSWEIRTQBC-UHFFFAOYSA-N
MW467.40 g/mol
LogP8.81
Rot. Bonds4

About 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole

2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole (PubChem CID 127035024) has the molecular formula C29H20Cl2N2 and a molecular weight of 467.40 g/mol. Its IUPAC name is 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole.

Molecular Properties

Compound Name2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole
PubChem CID127035024
Molecular FormulaC29H20Cl2N2
Molecular Weight467.40 g/mol
Exact Mass466.10
IUPAC Name2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole
SMILESClc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc32)cc1
InChIInChI=1S/C29H20Cl2N2/c30-21-12-10-19(11-13-21)18-33-27-9-5-4-8-24(27)28(20-6-2-1-3-7-20)29(33)25-17-32-26-16-22(31)14-15-23(25)26/h1-17,32H,18H2
InChIKeyCMHGPSWEIRTQBC-UHFFFAOYSA-N
XLogP8.81
TPSA20.72 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.40
LogP ≤ 58.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole?
The IUPAC name of 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole (CID 127035024) is 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole.
What is the SMILES notation for 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole?
The canonical SMILES for 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole is Clc1ccc(Cn2c(-c3c[nH]c4cc(Cl)ccc34)c(-c3ccccc3)c3ccccc32)cc1.
What is the InChIKey of 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole?
The InChIKey is CMHGPSWEIRTQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H20Cl2N2/c30-21-12-10-19(11-13-21)18-33-27-9-5-4-8-24(27)28(20-6-2-1-3-7-20)29(33)25-17-32-26-16-22(31)14-15-23(25)26/h1-17,32H,18H2.
What are the key properties of 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole?
2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole has a molecular weight of 467.40 g/mol, XLogP of 8.81, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-1H-indol-3-yl)-1-[(4-chlorophenyl)methyl]-3-phenylindole is sourced from PubChem (CID 127035024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).