3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole

C17H12Br2N2O — CID 163052484

IUPAC3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole
SMILESCOc1ccc(-c2c[nH]c3ccc(Br)cc23)c2c(Br)c[nH]c12
InChIInChI=1S/C17H12Br2N2O/c1-22-15-5-3-10(16-13(19)8-21-17(15)16)12-7-20-14-4-2-9(18)6-11(12)14/h2-8,20-21H,1H3
InChIKeyVYTWJEMOYIWMOR-UHFFFAOYSA-N
MW420.10 g/mol
LogP5.85
Rot. Bonds2

About 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole

3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole (PubChem CID 163052484) has the molecular formula C17H12Br2N2O and a molecular weight of 420.10 g/mol. Its IUPAC name is 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole.

Molecular Properties

Compound Name3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole
PubChem CID163052484
Molecular FormulaC17H12Br2N2O
Molecular Weight420.10 g/mol
Exact Mass417.93
IUPAC Name3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole
SMILESCOc1ccc(-c2c[nH]c3ccc(Br)cc23)c2c(Br)c[nH]c12
InChIInChI=1S/C17H12Br2N2O/c1-22-15-5-3-10(16-13(19)8-21-17(15)16)12-7-20-14-4-2-9(18)6-11(12)14/h2-8,20-21H,1H3
InChIKeyVYTWJEMOYIWMOR-UHFFFAOYSA-N
XLogP5.85
TPSA40.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.10
LogP ≤ 55.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
5-bromo-3-[(5-bromo-1H-indol-3-yl)-(2,5-dimethoxyphenyl)methyl]-1H-indole
CID 73352359
3-bromo-6-methoxy-7-methyl-1H-indole
CID 130052152
5-bromo-3-(2-bromothiophen-3-yl)-1H-indole
CID 142472315
(5-bromo-1H-indol-3-yl)-(4-bromo-2-methoxyphenyl)methanone
CID 115368763
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
7-bromo-4-methoxy-2H-isoquinolin-1-one
CID 178177569
5-bromo-3-(4-chlorophenyl)-1H-indole
CID 132595154
3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole
CID 162921752
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
[2-(5-bromo-1H-indol-3-yl)phenyl]-phenylmethanol
CID 175194429
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
CID 83901052

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole?
The IUPAC name of 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole (CID 163052484) is 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole.
What is the SMILES notation for 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole?
The canonical SMILES for 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole is COc1ccc(-c2c[nH]c3ccc(Br)cc23)c2c(Br)c[nH]c12.
What is the InChIKey of 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole?
The InChIKey is VYTWJEMOYIWMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Br2N2O/c1-22-15-5-3-10(16-13(19)8-21-17(15)16)12-7-20-14-4-2-9(18)6-11(12)14/h2-8,20-21H,1H3.
What are the key properties of 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole?
3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole has a molecular weight of 420.10 g/mol, XLogP of 5.85, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole is sourced from PubChem (CID 163052484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).