5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole

C17H14Br2N2 — CID 123956330

IUPAC5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
SMILESCC1c2cc(Br)ccc2NC1c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H14Br2N2/c1-9-12-6-10(18)3-5-16(12)21-17(9)14-8-20-15-4-2-11(19)7-13(14)15/h2-9,17,20-21H,1H3
InChIKeyLFIXVAMDGRYPGH-UHFFFAOYSA-N
MW406.12 g/mol
LogP5.96
Rot. Bonds1

About 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole

5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole (PubChem CID 123956330) has the molecular formula C17H14Br2N2 and a molecular weight of 406.12 g/mol. Its IUPAC name is 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole.

Molecular Properties

Compound Name5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
PubChem CID123956330
Molecular FormulaC17H14Br2N2
Molecular Weight406.12 g/mol
Exact Mass403.95
IUPAC Name5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole
SMILESCC1c2cc(Br)ccc2NC1c1c[nH]c2ccc(Br)cc12
InChIInChI=1S/C17H14Br2N2/c1-9-12-6-10(18)3-5-16(12)21-17(9)14-8-20-15-4-2-11(19)7-13(14)15/h2-9,17,20-21H,1H3
InChIKeyLFIXVAMDGRYPGH-UHFFFAOYSA-N
XLogP5.96
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.12
LogP ≤ 55.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole?
The IUPAC name of 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole (CID 123956330) is 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole.
What is the SMILES notation for 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole?
The canonical SMILES for 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole is CC1c2cc(Br)ccc2NC1c1c[nH]c2ccc(Br)cc12.
What is the InChIKey of 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole?
The InChIKey is LFIXVAMDGRYPGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14Br2N2/c1-9-12-6-10(18)3-5-16(12)21-17(9)14-8-20-15-4-2-11(19)7-13(14)15/h2-9,17,20-21H,1H3.
What are the key properties of 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole?
5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole has a molecular weight of 406.12 g/mol, XLogP of 5.96, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(5-bromo-3-methyl-2,3-dihydro-1H-indol-2-yl)-1H-indole is sourced from PubChem (CID 123956330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).