2,3-dichloro-4,5-diphenyl-1H-indole

C20H13Cl2N — CID 151613749

IUPAC2,3-dichloro-4,5-diphenyl-1H-indole
SMILESClc1[nH]c2ccc(-c3ccccc3)c(-c3ccccc3)c2c1Cl
InChIInChI=1S/C20H13Cl2N/c21-19-18-16(23-20(19)22)12-11-15(13-7-3-1-4-8-13)17(18)14-9-5-2-6-10-14/h1-12,23H
InChIKeyQNAZCBQGQGRLNY-UHFFFAOYSA-N
MW338.24 g/mol
LogP6.81
Rot. Bonds2

About 2,3-dichloro-4,5-diphenyl-1H-indole

2,3-dichloro-4,5-diphenyl-1H-indole (PubChem CID 151613749) has the molecular formula C20H13Cl2N and a molecular weight of 338.24 g/mol. Its IUPAC name is 2,3-dichloro-4,5-diphenyl-1H-indole.

Molecular Properties

Compound Name2,3-dichloro-4,5-diphenyl-1H-indole
PubChem CID151613749
Molecular FormulaC20H13Cl2N
Molecular Weight338.24 g/mol
Exact Mass337.04
IUPAC Name2,3-dichloro-4,5-diphenyl-1H-indole
SMILESClc1[nH]c2ccc(-c3ccccc3)c(-c3ccccc3)c2c1Cl
InChIInChI=1S/C20H13Cl2N/c21-19-18-16(23-20(19)22)12-11-15(13-7-3-1-4-8-13)17(18)14-9-5-2-6-10-14/h1-12,23H
InChIKeyQNAZCBQGQGRLNY-UHFFFAOYSA-N
XLogP6.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.24
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4,5-diphenyl-1H-indole?
The IUPAC name of 2,3-dichloro-4,5-diphenyl-1H-indole (CID 151613749) is 2,3-dichloro-4,5-diphenyl-1H-indole.
What is the SMILES notation for 2,3-dichloro-4,5-diphenyl-1H-indole?
The canonical SMILES for 2,3-dichloro-4,5-diphenyl-1H-indole is Clc1[nH]c2ccc(-c3ccccc3)c(-c3ccccc3)c2c1Cl.
What is the InChIKey of 2,3-dichloro-4,5-diphenyl-1H-indole?
The InChIKey is QNAZCBQGQGRLNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13Cl2N/c21-19-18-16(23-20(19)22)12-11-15(13-7-3-1-4-8-13)17(18)14-9-5-2-6-10-14/h1-12,23H.
What are the key properties of 2,3-dichloro-4,5-diphenyl-1H-indole?
2,3-dichloro-4,5-diphenyl-1H-indole has a molecular weight of 338.24 g/mol, XLogP of 6.81, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4,5-diphenyl-1H-indole is sourced from PubChem (CID 151613749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).