5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole

C21H13Cl2N3 — CID 134817075

IUPAC5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole
SMILESClc1ccc2[nH]cc(-c3cccc(-c4c[nH]c5ccc(Cl)cc45)n3)c2c1
InChIInChI=1S/C21H13Cl2N3/c22-12-4-6-18-14(8-12)16(10-24-18)20-2-1-3-21(26-20)17-11-25-19-7-5-13(23)9-15(17)19/h1-11,24-25H
InChIKeyVDSQQURBLWWQRV-UHFFFAOYSA-N
MW378.26 g/mol
LogP6.68
Rot. Bonds2

About 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole

5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole (PubChem CID 134817075) has the molecular formula C21H13Cl2N3 and a molecular weight of 378.26 g/mol. Its IUPAC name is 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole
PubChem CID134817075
Molecular FormulaC21H13Cl2N3
Molecular Weight378.26 g/mol
Exact Mass377.05
IUPAC Name5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole
SMILESClc1ccc2[nH]cc(-c3cccc(-c4c[nH]c5ccc(Cl)cc45)n3)c2c1
InChIInChI=1S/C21H13Cl2N3/c22-12-4-6-18-14(8-12)16(10-24-18)20-2-1-3-21(26-20)17-11-25-19-7-5-13(23)9-15(17)19/h1-11,24-25H
InChIKeyVDSQQURBLWWQRV-UHFFFAOYSA-N
XLogP6.68
TPSA44.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 56.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole?
The IUPAC name of 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole (CID 134817075) is 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole.
What is the SMILES notation for 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole?
The canonical SMILES for 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole is Clc1ccc2[nH]cc(-c3cccc(-c4c[nH]c5ccc(Cl)cc45)n3)c2c1.
What is the InChIKey of 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole?
The InChIKey is VDSQQURBLWWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3/c22-12-4-6-18-14(8-12)16(10-24-18)20-2-1-3-21(26-20)17-11-25-19-7-5-13(23)9-15(17)19/h1-11,24-25H.
What are the key properties of 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole?
5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole has a molecular weight of 378.26 g/mol, XLogP of 6.68, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[6-(5-chloro-1H-indol-3-yl)-2-pyridinyl]-1H-indole is sourced from PubChem (CID 134817075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).