5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole

C22H13Br3N2 — CID 141108734

IUPAC5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole
SMILESBrc1ccc(-c2c[nH]c3ccc(Br)cc23)c(-c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C22H13Br3N2/c23-12-1-4-15(19-10-26-21-5-2-13(24)8-17(19)21)16(7-12)20-11-27-22-6-3-14(25)9-18(20)22/h1-11,26-27H
InChIKeyKOMBWNGAWRBODN-UHFFFAOYSA-N
MW545.07 g/mol
LogP8.27
Rot. Bonds2

About 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole

5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole (PubChem CID 141108734) has the molecular formula C22H13Br3N2 and a molecular weight of 545.07 g/mol. Its IUPAC name is 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole
PubChem CID141108734
Molecular FormulaC22H13Br3N2
Molecular Weight545.07 g/mol
Exact Mass541.86
IUPAC Name5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole
SMILESBrc1ccc(-c2c[nH]c3ccc(Br)cc23)c(-c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C22H13Br3N2/c23-12-1-4-15(19-10-26-21-5-2-13(24)8-17(19)21)16(7-12)20-11-27-22-6-3-14(25)9-18(20)22/h1-11,26-27H
InChIKeyKOMBWNGAWRBODN-UHFFFAOYSA-N
XLogP8.27
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500545.07
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

3,3'-Diindolylmethane
CID 3071
5-Bromoindole
CID 24905
5-Bromotryptamine
CID 77158
2-(5-bromo-1H-indol-3-yl)acetonitrile
CID 13805944
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3,6-Dibromocarbazole
CID 274874
9-Bromoellipticine
CID 97080
6-bromo-9H-pyrido(3,4-b)indole
CID 162883
Aplicyanin A
CID 16718383
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
3-Indolecarboxylaldehyde, azine
CID 135400613
6-Bromoindole
CID 676493

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole?
The IUPAC name of 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole (CID 141108734) is 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole is Brc1ccc(-c2c[nH]c3ccc(Br)cc23)c(-c2c[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole?
The InChIKey is KOMBWNGAWRBODN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13Br3N2/c23-12-1-4-15(19-10-26-21-5-2-13(24)8-17(19)21)16(7-12)20-11-27-22-6-3-14(25)9-18(20)22/h1-11,26-27H.
What are the key properties of 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole?
5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole has a molecular weight of 545.07 g/mol, XLogP of 8.27, 2 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-bromo-2-(5-bromo-1H-indol-3-yl)phenyl]-1H-indole is sourced from PubChem (CID 141108734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).