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

C20H12Cl2FN3 — CID 71101543

IUPAC5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole
SMILESFc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4ccc(Cl)cc34)c2cc1Cl
InChIInChI=1S/C20H12Cl2FN3/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
InChIKeyHMBZDQIOKLSTTJ-UHFFFAOYSA-N
MW384.24 g/mol
LogP6.76
Rot. Bonds2

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

5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole (PubChem CID 71101543) has the molecular formula C20H12Cl2FN3 and a molecular weight of 384.24 g/mol. Its IUPAC name is 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole.

Molecular Properties

Compound Name5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole
PubChem CID71101543
Molecular FormulaC20H12Cl2FN3
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC Name5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole
SMILESFc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4ccc(Cl)cc34)c2cc1Cl
InChIInChI=1S/C20H12Cl2FN3/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
InChIKeyHMBZDQIOKLSTTJ-UHFFFAOYSA-N
XLogP6.76
TPSA47.37 Ų
H-Bond Donors3
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.24
LogP ≤ 56.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole?
The IUPAC name of 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole (CID 71101543) is 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole.
What is the SMILES notation for 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole?
The canonical SMILES for 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole is Fc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4ccc(Cl)cc34)c2cc1Cl.
What is the InChIKey of 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole?
The InChIKey is HMBZDQIOKLSTTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2FN3/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-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole?
5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole has a molecular weight of 384.24 g/mol, XLogP of 6.76, 2 rotatable bonds, 3 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[4-(5-chloro-1H-indol-3-yl)-1H-pyrrol-3-yl]-6-fluoro-1H-indole is sourced from PubChem (CID 71101543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).