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

C23H14Br2Cl2N2 — CID 86276287

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole
SMILESClc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1Cl
InChIInChI=1S/C23H14Br2Cl2N2/c24-13-2-5-21-15(8-13)17(10-28-21)23(12-1-4-19(26)20(27)7-12)18-11-29-22-6-3-14(25)9-16(18)22/h1-11,23,28-29H
InChIKeyREJFZKNWICHWIS-UHFFFAOYSA-N
MW549.09 g/mol
LogP8.66
Rot. Bonds3

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

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole (PubChem CID 86276287) has the molecular formula C23H14Br2Cl2N2 and a molecular weight of 549.09 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole
PubChem CID86276287
Molecular FormulaC23H14Br2Cl2N2
Molecular Weight549.09 g/mol
Exact Mass545.89
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole
SMILESClc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1Cl
InChIInChI=1S/C23H14Br2Cl2N2/c24-13-2-5-21-15(8-13)17(10-28-21)23(12-1-4-19(26)20(27)7-12)18-11-29-22-6-3-14(25)9-16(18)22/h1-11,23,28-29H
InChIKeyREJFZKNWICHWIS-UHFFFAOYSA-N
XLogP8.66
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.09
LogP ≤ 58.66
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)-(3,4-dichlorophenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole (CID 86276287) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole is Clc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1Cl.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole?
The InChIKey is REJFZKNWICHWIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14Br2Cl2N2/c24-13-2-5-21-15(8-13)17(10-28-21)23(12-1-4-19(26)20(27)7-12)18-11-29-22-6-3-14(25)9-16(18)22/h1-11,23,28-29H.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3,4-dichlorophenyl)methyl]-1H-indole has a molecular weight of 549.09 g/mol, XLogP of 8.66, 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)-(3,4-dichlorophenyl)methyl]-1H-indole is sourced from PubChem (CID 86276287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).