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

C20H11Cl4N3 — CID 11385005

IUPAC5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
SMILESClc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2cc1Cl
InChIInChI=1S/C20H11Cl4N3/c21-15-1-9-13(7-26-19(9)3-17(15)23)11-5-25-6-12(11)14-8-27-20-4-18(24)16(22)2-10(14)20/h1-8,25-27H
InChIKeyBMSRAYDJPZCVMP-UHFFFAOYSA-N
MW435.14 g/mol
LogP7.92
Rot. Bonds2

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

5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole (PubChem CID 11385005) has the molecular formula C20H11Cl4N3 and a molecular weight of 435.14 g/mol. Its IUPAC name is 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole.

Molecular Properties

Compound Name5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
PubChem CID11385005
Molecular FormulaC20H11Cl4N3
Molecular Weight435.14 g/mol
Exact Mass432.97
IUPAC Name5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole
SMILESClc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2cc1Cl
InChIInChI=1S/C20H11Cl4N3/c21-15-1-9-13(7-26-19(9)3-17(15)23)11-5-25-6-12(11)14-8-27-20-4-18(24)16(22)2-10(14)20/h1-8,25-27H
InChIKeyBMSRAYDJPZCVMP-UHFFFAOYSA-N
XLogP7.92
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.14
LogP ≤ 57.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The IUPAC name of 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole (CID 11385005) is 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole.
What is the SMILES notation for 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The canonical SMILES for 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole is Clc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2cc1Cl.
What is the InChIKey of 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
The InChIKey is BMSRAYDJPZCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl4N3/c21-15-1-9-13(7-26-19(9)3-17(15)23)11-5-25-6-12(11)14-8-27-20-4-18(24)16(22)2-10(14)20/h1-8,25-27H.
What are the key properties of 5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole?
5,6-dichloro-3-[4-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole has a molecular weight of 435.14 g/mol, XLogP of 7.92, 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-(5,6-dichloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-1H-indole is sourced from PubChem (CID 11385005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).