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

C23H15Br2FN2 — CID 86276284

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole
SMILESFc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H15Br2FN2/c24-13-5-7-21-16(9-13)18(11-27-21)23(15-3-1-2-4-20(15)26)19-12-28-22-8-6-14(25)10-17(19)22/h1-12,23,27-28H
InChIKeyVHCYTGQQFRJRNQ-UHFFFAOYSA-N
MW498.19 g/mol
LogP7.49
Rot. Bonds3

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

5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole (PubChem CID 86276284) has the molecular formula C23H15Br2FN2 and a molecular weight of 498.19 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole
PubChem CID86276284
Molecular FormulaC23H15Br2FN2
Molecular Weight498.19 g/mol
Exact Mass495.96
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole
SMILESFc1ccccc1C(c1c[nH]c2ccc(Br)cc12)c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C23H15Br2FN2/c24-13-5-7-21-16(9-13)18(11-27-21)23(15-3-1-2-4-20(15)26)19-12-28-22-8-6-14(25)10-17(19)22/h1-12,23,27-28H
InChIKeyVHCYTGQQFRJRNQ-UHFFFAOYSA-N
XLogP7.49
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.19
LogP ≤ 57.49
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-fluorophenyl)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole (CID 86276284) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole is Fc1ccccc1C(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-fluorophenyl)methyl]-1H-indole?
The InChIKey is VHCYTGQQFRJRNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15Br2FN2/c24-13-5-7-21-16(9-13)18(11-27-21)23(15-3-1-2-4-20(15)26)19-12-28-22-8-6-14(25)10-17(19)22/h1-12,23,27-28H.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2-fluorophenyl)methyl]-1H-indole has a molecular weight of 498.19 g/mol, XLogP of 7.49, 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-fluorophenyl)methyl]-1H-indole is sourced from PubChem (CID 86276284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).