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

C17H12Br2N2 — CID 10201214

IUPAC5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
SMILESBrc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C17H12Br2N2/c18-12-1-3-16-14(6-12)10(8-20-16)5-11-9-21-17-4-2-13(19)7-15(11)17/h1-4,6-9,20-21H,5H2
InChIKeyQUNVWKDXAHYQTO-UHFFFAOYSA-N
MW404.11 g/mol
LogP5.76
Rot. Bonds2

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

5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole (PubChem CID 10201214) has the molecular formula C17H12Br2N2 and a molecular weight of 404.11 g/mol. Its IUPAC name is 5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole.

Molecular Properties

Compound Name5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
PubChem CID10201214
Molecular FormulaC17H12Br2N2
Molecular Weight404.11 g/mol
Exact Mass401.94
IUPAC Name5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole
SMILESBrc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1
InChIInChI=1S/C17H12Br2N2/c18-12-1-3-16-14(6-12)10(8-20-16)5-11-9-21-17-4-2-13(19)7-15(11)17/h1-4,6-9,20-21H,5H2
InChIKeyQUNVWKDXAHYQTO-UHFFFAOYSA-N
XLogP5.76
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.11
LogP ≤ 55.76
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)methyl]-1H-indole?
The IUPAC name of 5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole (CID 10201214) is 5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole.
What is the SMILES notation for 5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole?
The canonical SMILES for 5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole is Brc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1.
What is the InChIKey of 5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole?
The InChIKey is QUNVWKDXAHYQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2/c18-12-1-3-16-14(6-12)10(8-20-16)5-11-9-21-17-4-2-13(19)7-15(11)17/h1-4,6-9,20-21H,5H2.
What are the key properties of 5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole?
5-bromo-3-[(5-bromo-1H-indol-3-yl)methyl]-1H-indole has a molecular weight of 404.11 g/mol, XLogP of 5.76, 2 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)methyl]-1H-indole is sourced from PubChem (CID 10201214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).