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

C24H18Br2N2 — CID 46845933

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
SMILESCc1cccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C24H18Br2N2/c1-14-3-2-4-15(9-14)24(20-12-27-22-7-5-16(25)10-18(20)22)21-13-28-23-8-6-17(26)11-19(21)23/h2-13,24,27-28H,1H3
InChIKeyOMZNRLYMQMYFRM-UHFFFAOYSA-N
MW494.23 g/mol
LogP7.66
Rot. Bonds3

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

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole (PubChem CID 46845933) has the molecular formula C24H18Br2N2 and a molecular weight of 494.23 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
PubChem CID46845933
Molecular FormulaC24H18Br2N2
Molecular Weight494.23 g/mol
Exact Mass491.98
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole
SMILESCc1cccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1
InChIInChI=1S/C24H18Br2N2/c1-14-3-2-4-15(9-14)24(20-12-27-22-7-5-16(25)10-18(20)22)21-13-28-23-8-6-17(26)11-19(21)23/h2-13,24,27-28H,1H3
InChIKeyOMZNRLYMQMYFRM-UHFFFAOYSA-N
XLogP7.66
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.23
LogP ≤ 57.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

Analyze 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[1H-indol-3-yl(phenyl)methyl]-5-methyl-1H-indole
CID 25098654
(1R)-1-(5-bromo-1H-indol-3-yl)ethanamine
CID 79018503
5-bromo-3-(3-methylbutan-2-yl)-1H-indole
CID 106985167
(2R)-2-(5-bromo-1H-indol-3-yl)-2-phenylethanol
CID 10892445
2-[(3-bromophenyl)-(1H-indol-3-yl)methyl]phenol
CID 172711246
(1S)-1-(5-bromo-1H-indol-3-yl)ethanamine;hydrochloride
CID 171225851
2-(5-bromo-1H-indol-3-yl)-2-(3-methylanilino)-1-(4-methylphenyl)ethanone
CID 71505481
(1R,2S)-2-(5-bromo-1H-indol-3-yl)-1,2-diphenylethanol
CID 102147782
5-bromo-3-butan-2-yl-1H-indole
CID 106985240
5-bromo-3-[1-(4-methylphenyl)-3-phenylprop-2-ynyl]-1H-indole
CID 53348478
(1R)-1-(5-bromo-1H-indol-3-yl)propan-1-amine
CID 79015819
5-bromo-3-(1,3-diphenylpropyl)-1H-indole
CID 102325643

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole (CID 46845933) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole is Cc1cccc(C(c2c[nH]c3ccc(Br)cc23)c2c[nH]c3ccc(Br)cc23)c1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole?
The InChIKey is OMZNRLYMQMYFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2/c1-14-3-2-4-15(9-14)24(20-12-27-22-7-5-16(25)10-18(20)22)21-13-28-23-8-6-17(26)11-19(21)23/h2-13,24,27-28H,1H3.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(3-methylphenyl)methyl]-1H-indole has a molecular weight of 494.23 g/mol, XLogP of 7.66, 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-methylphenyl)methyl]-1H-indole is sourced from PubChem (CID 46845933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).