3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole

C23H15BrCl2N2 — CID 171608072

IUPAC3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole
SMILESClc1ccc2c(C(c3ccccc3Br)c3c[nH]c4cc(Cl)ccc34)c[nH]c2c1
InChIInChI=1S/C23H15BrCl2N2/c24-20-4-2-1-3-17(20)23(18-11-27-21-9-13(25)5-7-15(18)21)19-12-28-22-10-14(26)6-8-16(19)22/h1-12,23,27-28H
InChIKeyFPJZYHWBHCLAAY-UHFFFAOYSA-N
MW470.20 g/mol
LogP7.90
Rot. Bonds3

About 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole

3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole (PubChem CID 171608072) has the molecular formula C23H15BrCl2N2 and a molecular weight of 470.20 g/mol. Its IUPAC name is 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole.

Molecular Properties

Compound Name3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole
PubChem CID171608072
Molecular FormulaC23H15BrCl2N2
Molecular Weight470.20 g/mol
Exact Mass467.98
IUPAC Name3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole
SMILESClc1ccc2c(C(c3ccccc3Br)c3c[nH]c4cc(Cl)ccc34)c[nH]c2c1
InChIInChI=1S/C23H15BrCl2N2/c24-20-4-2-1-3-17(20)23(18-11-27-21-9-13(25)5-7-15(18)21)19-12-28-22-10-14(26)6-8-16(19)22/h1-12,23,27-28H
InChIKeyFPJZYHWBHCLAAY-UHFFFAOYSA-N
XLogP7.90
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.20
LogP ≤ 57.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]phenol
CID 172685191
(1R)-1-(6-chloro-1H-indol-3-yl)ethanamine
CID 82759126
2-[(2-bromophenyl)-(5-chloro-2-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 50999166
2-amino-2-(6-chloro-1H-indol-3-yl)acetaldehyde
CID 88561394
1-(6-chloro-1H-indol-3-yl)-3-sulfanylpropane-1,2-diol
CID 170821278
(6-chloro-1H-indol-3-yl)-cyclobutylmethanamine
CID 82277722
3-(bromomethyl)-6-chloro-1H-indole
CID 131288743
diethyl 2-[(6-chloro-1H-indol-3-yl)-phenylmethyl]propanedioate
CID 102161933
(2R)-2-(4-benzhydrylpiperazin-1-yl)-2-(6-chloro-1H-indol-3-yl)acetic acid
CID 29111306
2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
[2-[(6-chloro-1-methylindol-3-yl)-(1H-indol-3-yl)methyl]phenyl] sulfamate
CID 156903033
2,4-dibromo-6-[1H-indol-3-yl(phenyl)methyl]phenol
CID 172802738

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole?
The IUPAC name of 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole (CID 171608072) is 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole.
What is the SMILES notation for 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole?
The canonical SMILES for 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole is Clc1ccc2c(C(c3ccccc3Br)c3c[nH]c4cc(Cl)ccc34)c[nH]c2c1.
What is the InChIKey of 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole?
The InChIKey is FPJZYHWBHCLAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrCl2N2/c24-20-4-2-1-3-17(20)23(18-11-27-21-9-13(25)5-7-15(18)21)19-12-28-22-10-14(26)6-8-16(19)22/h1-12,23,27-28H.
What are the key properties of 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole?
3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole has a molecular weight of 470.20 g/mol, XLogP of 7.90, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-bromophenyl)-(6-chloro-1H-indol-3-yl)methyl]-6-chloro-1H-indole is sourced from PubChem (CID 171608072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).