3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole

C17H10Br4N2O — CID 162921752

IUPAC3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole
SMILESCOc1cc(Br)c(-n2c(Br)cc3cc(Br)ccc32)c2c(Br)c[nH]c12
InChIInChI=1S/C17H10Br4N2O/c1-24-13-6-10(19)17(15-11(20)7-22-16(13)15)23-12-3-2-9(18)4-8(12)5-14(23)21/h2-7,22H,1H3
InChIKeySKVSPDSBOODHIB-UHFFFAOYSA-N
MW577.90 g/mol
LogP7.17
Rot. Bonds2

About 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole

3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole (PubChem CID 162921752) has the molecular formula C17H10Br4N2O and a molecular weight of 577.90 g/mol. Its IUPAC name is 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole.

Molecular Properties

Compound Name3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole
PubChem CID162921752
Molecular FormulaC17H10Br4N2O
Molecular Weight577.90 g/mol
Exact Mass573.75
IUPAC Name3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole
SMILESCOc1cc(Br)c(-n2c(Br)cc3cc(Br)ccc32)c2c(Br)c[nH]c12
InChIInChI=1S/C17H10Br4N2O/c1-24-13-6-10(19)17(15-11(20)7-22-16(13)15)23-12-3-2-9(18)4-8(12)5-14(23)21/h2-7,22H,1H3
InChIKeySKVSPDSBOODHIB-UHFFFAOYSA-N
XLogP7.17
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.90
LogP ≤ 57.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4,7-dimethoxy-1H-indole
CID 13285273
3-bromo-4-(5-bromo-1H-indol-3-yl)-7-methoxy-1H-indole
CID 163052484
5-bromo-4,7-dimethoxy-1H-indole-3-carbaldehyde
CID 163323842
6-bromo-2-methoxynaphthalen-1-amine
CID 54370275
3-bromo-6-methoxy-7-methyl-1H-indole
CID 130052152
3-bromo-5-fluoro-7-methoxy-1H-indole
CID 130052168
6-bromo-3-(2,4-dibromo-5-methoxyphenyl)-1H-benzimidazole-2-thione
CID 103415519
7-bromo-4-methoxy-2H-isoquinolin-1-one
CID 178177569
5-bromo-1-[(3-bromo-4-methoxyphenyl)methyl]indole
CID 116619613
(4-bromo-7-methoxy-1H-indol-3-yl)methanamine
CID 83901052
3-bromo-6-fluoro-8-methoxy-1H-quinolin-4-one
CID 114759442
4-bromo-2-(2,5-dibromo-4-methoxyphenoxy)aniline
CID 79415483

Frequently Asked Questions

What is the IUPAC name of 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole?
The IUPAC name of 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole (CID 162921752) is 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole.
What is the SMILES notation for 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole?
The canonical SMILES for 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole is COc1cc(Br)c(-n2c(Br)cc3cc(Br)ccc32)c2c(Br)c[nH]c12.
What is the InChIKey of 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole?
The InChIKey is SKVSPDSBOODHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br4N2O/c1-24-13-6-10(19)17(15-11(20)7-22-16(13)15)23-12-3-2-9(18)4-8(12)5-14(23)21/h2-7,22H,1H3.
What are the key properties of 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole?
3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole has a molecular weight of 577.90 g/mol, XLogP of 7.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dibromo-4-(2,5-dibromoindol-1-yl)-7-methoxy-1H-indole is sourced from PubChem (CID 162921752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).