5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole

C20H12Cl3N3 — CID 71101477

IUPAC5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
SMILESClc1ccc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2c1
InChIInChI=1S/C20H12Cl3N3/c21-10-1-2-19-11(3-10)15(8-25-19)13-6-24-7-14(13)16-9-26-20-5-18(23)17(22)4-12(16)20/h1-9,24-26H
InChIKeyAOEKFFJPYRPBKA-UHFFFAOYSA-N
MW400.70 g/mol
LogP7.27
Rot. Bonds2

About 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole

5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole (PubChem CID 71101477) has the molecular formula C20H12Cl3N3 and a molecular weight of 400.70 g/mol. Its IUPAC name is 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole.

Molecular Properties

Compound Name5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
PubChem CID71101477
Molecular FormulaC20H12Cl3N3
Molecular Weight400.70 g/mol
Exact Mass399.01
IUPAC Name5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
SMILESClc1ccc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2c1
InChIInChI=1S/C20H12Cl3N3/c21-10-1-2-19-11(3-10)15(8-25-19)13-6-24-7-14(13)16-9-26-20-5-18(23)17(22)4-12(16)20/h1-9,24-26H
InChIKeyAOEKFFJPYRPBKA-UHFFFAOYSA-N
XLogP7.27
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.70
LogP ≤ 57.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Related Compounds

3-(5-chloro-1H-indol-3-yl)-5-fluoro-1H-indole
CID 171776038
3-(5-chloro-1H-indol-3-yl)-1H-pyrrole-2,5-diol
CID 90829094
5-chloro-3-iodo-1H-indole
CID 2762969
5-chloro-3-pyridin-2-yl-1H-indole
CID 70567699
5-(5-chloro-1H-indol-3-yl)-1-methylpyrazol-4-amine
CID 136986292
5-chloro-3-(1,2,3,6-tetrahydropyridin-5-yl)-1H-indole
CID 168941463
(5-chloro-1H-indol-3-yl)-(3,4-dichlorophenyl)methanone
CID 63877670
1-(5-chloro-1H-indol-3-yl)ethanol
CID 117195568
5-bromo-3-(4-chlorophenyl)-1H-indole
CID 132595154
4,7-dichloro-2-(6-chloro-1H-indol-3-yl)quinoline
CID 18729655
2-(5-chloro-1H-indol-3-yl)acetate
CID 21122976
5,7-dichloro-3-(1H-indol-3-yl)-1H-indole
CID 10518361

Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The IUPAC name of 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole (CID 71101477) is 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole.
What is the SMILES notation for 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The canonical SMILES for 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole is Clc1ccc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2c1.
What is the InChIKey of 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The InChIKey is AOEKFFJPYRPBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl3N3/c21-10-1-2-19-11(3-10)15(8-25-19)13-6-24-7-14(13)16-9-26-20-5-18(23)17(22)4-12(16)20/h1-9,24-26H.
What are the key properties of 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole has a molecular weight of 400.70 g/mol, XLogP of 7.27, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole is sourced from PubChem (CID 71101477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).