2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole

C28H16Br2Cl2N2 — CID 102230394

IUPAC2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole
SMILESClc1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)c(-c3c(-c4ccc(Br)cc4)[nH]c4ccccc34)c2c1
InChIInChI=1S/C28H16Br2Cl2N2/c29-17-9-5-15(6-10-17)26-24(20-3-1-2-4-23(20)33-26)25-21-13-19(31)14-22(32)28(21)34-27(25)16-7-11-18(30)12-8-16/h1-14,33-34H
InChIKeyXKLFRGNMLJAQBL-UHFFFAOYSA-N
MW611.16 g/mol
LogP10.48
Rot. Bonds3

About 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole

2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole (PubChem CID 102230394) has the molecular formula C28H16Br2Cl2N2 and a molecular weight of 611.16 g/mol. Its IUPAC name is 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole.

Molecular Properties

Compound Name2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole
PubChem CID102230394
Molecular FormulaC28H16Br2Cl2N2
Molecular Weight611.16 g/mol
Exact Mass607.91
IUPAC Name2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole
SMILESClc1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)c(-c3c(-c4ccc(Br)cc4)[nH]c4ccccc34)c2c1
InChIInChI=1S/C28H16Br2Cl2N2/c29-17-9-5-15(6-10-17)26-24(20-3-1-2-4-23(20)33-26)25-21-13-19(31)14-22(32)28(21)34-27(25)16-7-11-18(30)12-8-16/h1-14,33-34H
InChIKeyXKLFRGNMLJAQBL-UHFFFAOYSA-N
XLogP10.48
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.16
LogP ≤ 510.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole?
The IUPAC name of 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole (CID 102230394) is 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole.
What is the SMILES notation for 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole?
The canonical SMILES for 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole is Clc1cc(Cl)c2[nH]c(-c3ccc(Br)cc3)c(-c3c(-c4ccc(Br)cc4)[nH]c4ccccc34)c2c1.
What is the InChIKey of 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole?
The InChIKey is XKLFRGNMLJAQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16Br2Cl2N2/c29-17-9-5-15(6-10-17)26-24(20-3-1-2-4-23(20)33-26)25-21-13-19(31)14-22(32)28(21)34-27(25)16-7-11-18(30)12-8-16/h1-14,33-34H.
What are the key properties of 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole?
2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole has a molecular weight of 611.16 g/mol, XLogP of 10.48, 3 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-3-[2-(4-bromophenyl)-1H-indol-3-yl]-5,7-dichloro-1H-indole is sourced from PubChem (CID 102230394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).