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

C23H15Br3N2 — CID 11706726

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole
SMILESBrc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H15Br3N2/c24-14-3-1-13(2-4-14)23(19-11-27-21-7-5-15(25)9-17(19)21)20-12-28-22-8-6-16(26)10-18(20)22/h1-12,23,27-28H
InChIKeyJUWJAINCQUOODJ-UHFFFAOYSA-N
MW559.10 g/mol
LogP8.12
Rot. Bonds3

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

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole (PubChem CID 11706726) has the molecular formula C23H15Br3N2 and a molecular weight of 559.10 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole
PubChem CID11706726
Molecular FormulaC23H15Br3N2
Molecular Weight559.10 g/mol
Exact Mass555.88
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole
SMILESBrc1ccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)cc1
InChIInChI=1S/C23H15Br3N2/c24-14-3-1-13(2-4-14)23(19-11-27-21-7-5-15(25)9-17(19)21)20-12-28-22-8-6-16(26)10-18(20)22/h1-12,23,27-28H
InChIKeyJUWJAINCQUOODJ-UHFFFAOYSA-N
XLogP8.12
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.10
LogP ≤ 58.12
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-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3,6-Dibromocarbazole
CID 274874
6-bromo-9H-pyrido(3,4-b)indole
CID 162883
Aplicyanin A
CID 16718383
6-Bromo-1-methyl-9H-pyrido(3,4-b)indole
CID 5380465
Indole, 5-bromo-3-(dimethylamino)methyl-
CID 13249
3-Indolecarboxylaldehyde, azine
CID 135400613

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole (CID 11706726) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole is Brc1ccc(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-bromophenyl)methyl]-1H-indole?
The InChIKey is JUWJAINCQUOODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br3N2/c24-14-3-1-13(2-4-14)23(19-11-27-21-7-5-15(25)9-17(19)21)20-12-28-22-8-6-16(26)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-bromophenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(4-bromophenyl)methyl]-1H-indole has a molecular weight of 559.10 g/mol, XLogP of 8.12, 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-bromophenyl)methyl]-1H-indole is sourced from PubChem (CID 11706726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).