7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one

C116H70Br4Cl4N14O14 — CID 165048647

IUPAC7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESCc1ccc2[nH]c(C3=Nc4ccc(Br)cc4C3=O)c(O)c2c1.Cc1ccc2[nH]c(C3=Nc4ccc(Cl)cc4C3=O)c(O)c2c1.Cc1ccc2c(c1)N=C(c1[nH]c3cc(Br)ccc3c1O)C2=O.Cc1ccc2c(c1)N=C(c1[nH]c3cc(Cl)ccc3c1O)C2=O.O=C1C(c2[nH]c3c(Br)cccc3c2O)=Nc2c(Br)cccc21.O=C1C(c2[nH]c3c(Cl)cccc3c2O)=Nc2c(Cl)cccc21.O=C1C(c2[nH]c3ccccc3c2O)=Nc2ccccc21
InChIInChI=1S/2C17H11BrN2O2.2C17H11ClN2O2.C16H8Br2N2O2.C16H8Cl2N2O2.C16H10N2O2/c1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15;1-8-2-4-10-12(6-8)19-14(16(10)21)15-17(22)11-5-3-9(18)7-13(11)20-15;1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15;1-8-2-4-10-12(6-8)19-14(16(10)21)15-17(22)11-5-3-9(18)7-13(11)20-15;2*17-9-5-1-3-7-11(9)19-13(15(7)21)14-16(22)8-4-2-6-10(18)12(8)20-14;19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h2-7,19,21H,1H3;2-7,20,22H,1H3;2-7,19,21H,1H3;2-7,20,22H,1H3;2*1-6,19,21H;1-8,17,19H
InChIKeyYBWDVFVZUHICMK-UHFFFAOYSA-N
MW2345.35 g/mol
LogP29.23
Rot. Bonds7

About 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one

7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one (PubChem CID 165048647) has the molecular formula C116H70Br4Cl4N14O14 and a molecular weight of 2345.35 g/mol. Its IUPAC name is 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one.

Molecular Properties

Compound Name7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one
PubChem CID165048647
Molecular FormulaC116H70Br4Cl4N14O14
Molecular Weight2345.35 g/mol
Exact Mass2338.07
IUPAC Name7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one
SMILESCc1ccc2[nH]c(C3=Nc4ccc(Br)cc4C3=O)c(O)c2c1.Cc1ccc2[nH]c(C3=Nc4ccc(Cl)cc4C3=O)c(O)c2c1.Cc1ccc2c(c1)N=C(c1[nH]c3cc(Br)ccc3c1O)C2=O.Cc1ccc2c(c1)N=C(c1[nH]c3cc(Cl)ccc3c1O)C2=O.O=C1C(c2[nH]c3c(Br)cccc3c2O)=Nc2c(Br)cccc21.O=C1C(c2[nH]c3c(Cl)cccc3c2O)=Nc2c(Cl)cccc21.O=C1C(c2[nH]c3ccccc3c2O)=Nc2ccccc21
InChIInChI=1S/2C17H11BrN2O2.2C17H11ClN2O2.C16H8Br2N2O2.C16H8Cl2N2O2.C16H10N2O2/c1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15;1-8-2-4-10-12(6-8)19-14(16(10)21)15-17(22)11-5-3-9(18)7-13(11)20-15;1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15;1-8-2-4-10-12(6-8)19-14(16(10)21)15-17(22)11-5-3-9(18)7-13(11)20-15;2*17-9-5-1-3-7-11(9)19-13(15(7)21)14-16(22)8-4-2-6-10(18)12(8)20-14;19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h2-7,19,21H,1H3;2-7,20,22H,1H3;2-7,19,21H,1H3;2-7,20,22H,1H3;2*1-6,19,21H;1-8,17,19H
InChIKeyYBWDVFVZUHICMK-UHFFFAOYSA-N
XLogP29.23
TPSA458.15 Ų
H-Bond Donors14
H-Bond Acceptors21
Rotatable Bonds7
Heavy Atoms152
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002345.35
LogP ≤ 529.23
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1021

Analyze 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one?
The IUPAC name of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one (CID 165048647) is 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one.
What is the SMILES notation for 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one?
The canonical SMILES for 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one is Cc1ccc2[nH]c(C3=Nc4ccc(Br)cc4C3=O)c(O)c2c1.Cc1ccc2[nH]c(C3=Nc4ccc(Cl)cc4C3=O)c(O)c2c1.Cc1ccc2c(c1)N=C(c1[nH]c3cc(Br)ccc3c1O)C2=O.Cc1ccc2c(c1)N=C(c1[nH]c3cc(Cl)ccc3c1O)C2=O.O=C1C(c2[nH]c3c(Br)cccc3c2O)=Nc2c(Br)cccc21.O=C1C(c2[nH]c3c(Cl)cccc3c2O)=Nc2c(Cl)cccc21.O=C1C(c2[nH]c3ccccc3c2O)=Nc2ccccc21.
What is the InChIKey of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one?
The InChIKey is YBWDVFVZUHICMK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H11BrN2O2.2C17H11ClN2O2.C16H8Br2N2O2.C16H8Cl2N2O2.C16H10N2O2/c1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15;1-8-2-4-10-12(6-8)19-14(16(10)21)15-17(22)11-5-3-9(18)7-13(11)20-15;1-8-2-4-12-10(6-8)16(21)14(19-12)15-17(22)11-7-9(18)3-5-13(11)20-15;1-8-2-4-10-12(6-8)19-14(16(10)21)15-17(22)11-5-3-9(18)7-13(11)20-15;2*17-9-5-1-3-7-11(9)19-13(15(7)21)14-16(22)8-4-2-6-10(18)12(8)20-14;19-15-9-5-1-3-7-11(9)17-13(15)14-16(20)10-6-2-4-8-12(10)18-14/h2-7,19,21H,1H3;2-7,20,22H,1H3;2-7,19,21H,1H3;2-7,20,22H,1H3;2*1-6,19,21H;1-8,17,19H.
What are the key properties of 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one?
7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one has a molecular weight of 2345.35 g/mol, XLogP of 29.23, 7 rotatable bonds, 14 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(7-bromo-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-bromo-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-bromo-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;7-chloro-2-(7-chloro-3-hydroxy-1H-indol-2-yl)indol-3-one;2-(6-chloro-3-hydroxy-1H-indol-2-yl)-6-methylindol-3-one;5-chloro-2-(3-hydroxy-5-methyl-1H-indol-2-yl)indol-3-one;2-(3-hydroxy-1H-indol-2-yl)indol-3-one is sourced from PubChem (CID 165048647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).