5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole

C23H15Br2ClN2 — CID 11598752

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole
SMILESClc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H15Br2ClN2/c24-14-3-7-21-17(9-14)19(11-27-21)23(13-1-5-16(26)6-2-13)20-12-28-22-8-4-15(25)10-18(20)22/h1-12,23,27-28H
InChIKeyPNKONBOGWPVFGH-UHFFFAOYSA-N
MW514.65 g/mol
LogP8.01
Rot. Bonds3

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole (PubChem CID 11598752) has the molecular formula C23H15Br2ClN2 and a molecular weight of 514.65 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole
PubChem CID11598752
Molecular FormulaC23H15Br2ClN2
Molecular Weight514.65 g/mol
Exact Mass511.93
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole
SMILESClc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H15Br2ClN2/c24-14-3-7-21-17(9-14)19(11-27-21)23(13-1-5-16(26)6-2-13)20-12-28-22-8-4-15(25)10-18(20)22/h1-12,23,27-28H
InChIKeyPNKONBOGWPVFGH-UHFFFAOYSA-N
XLogP8.01
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500514.65
LogP ≤ 58.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole (CID 11598752) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole is Clc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole?
The InChIKey is PNKONBOGWPVFGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2ClN2/c24-14-3-7-21-17(9-14)19(11-27-21)23(13-1-5-16(26)6-2-13)20-12-28-22-8-4-15(25)10-18(20)22/h1-12,23,27-28H.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole has a molecular weight of 514.65 g/mol, XLogP of 8.01, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-chlorophenyl)methyl]-1H-indole is sourced from PubChem (CID 11598752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).