6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole

C17H12Cl2N2 — CID 102219035

IUPAC6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole
SMILESClc1ccc2c(Cc3c[nH]c4cc(Cl)ccc34)c[nH]c2c1
InChIInChI=1S/C17H12Cl2N2/c18-12-1-3-14-10(8-20-16(14)6-12)5-11-9-21-17-7-13(19)2-4-15(11)17/h1-4,6-9,20-21H,5H2
InChIKeyVOHXTYCFOKFNAI-UHFFFAOYSA-N
MW315.20 g/mol
LogP5.55
Rot. Bonds2

About 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole

6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole (PubChem CID 102219035) has the molecular formula C17H12Cl2N2 and a molecular weight of 315.20 g/mol. Its IUPAC name is 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole
PubChem CID102219035
Molecular FormulaC17H12Cl2N2
Molecular Weight315.20 g/mol
Exact Mass314.04
IUPAC Name6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole
SMILESClc1ccc2c(Cc3c[nH]c4cc(Cl)ccc34)c[nH]c2c1
InChIInChI=1S/C17H12Cl2N2/c18-12-1-3-14-10(8-20-16(14)6-12)5-11-9-21-17-7-13(19)2-4-15(11)17/h1-4,6-9,20-21H,5H2
InChIKeyVOHXTYCFOKFNAI-UHFFFAOYSA-N
XLogP5.55
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.20
LogP ≤ 55.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole?
The IUPAC name of 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole (CID 102219035) is 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole is Clc1ccc2c(Cc3c[nH]c4cc(Cl)ccc34)c[nH]c2c1.
What is the InChIKey of 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is VOHXTYCFOKFNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2/c18-12-1-3-14-10(8-20-16(14)6-12)5-11-9-21-17-7-13(19)2-4-15(11)17/h1-4,6-9,20-21H,5H2.
What are the key properties of 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole?
6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 315.20 g/mol, XLogP of 5.55, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-[(6-chloro-1H-indol-3-yl)methyl]-1H-indole is sourced from PubChem (CID 102219035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).