5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole

C24H18Br2N2 — CID 86276286

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole
SMILESCc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H18Br2N2/c1-14-4-2-3-5-17(14)24(20-12-27-22-8-6-15(25)10-18(20)22)21-13-28-23-9-7-16(26)11-19(21)23/h2-13,24,27-28H,1H3
InChIKeyFFMUQXSJOYVLLE-UHFFFAOYSA-N
MW494.23 g/mol
LogP7.66
Rot. Bonds3

About 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole (PubChem CID 86276286) 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)-(2-methylphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole
PubChem CID86276286
Molecular FormulaC24H18Br2N2
Molecular Weight494.23 g/mol
Exact Mass491.98
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole
SMILESCc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C24H18Br2N2/c1-14-4-2-3-5-17(14)24(20-12-27-22-8-6-15(25)10-18(20)22)21-13-28-23-9-7-16(26)11-19(21)23/h2-13,24,27-28H,1H3
InChIKeyFFMUQXSJOYVLLE-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

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole (CID 86276286) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole is Cc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-methylphenyl)methyl]-1H-indole?
The InChIKey is FFMUQXSJOYVLLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Br2N2/c1-14-4-2-3-5-17(14)24(20-12-27-22-8-6-15(25)10-18(20)22)21-13-28-23-9-7-16(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)-(2-methylphenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-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)-(2-methylphenyl)methyl]-1H-indole is sourced from PubChem (CID 86276286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).