5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol

C121H110Br5N19O12 — CID 172983718

IUPAC5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC1CCCC(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.O=C1c2ccccc2C(=O)N1CCCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCCC1
InChIInChI=1S/C27H19BrN4O4.C25H22BrN5O2.C25H26BrN3O2.C24H24BrN3O2.C20H19BrN4O2/c28-15-10-11-21-19(14-15)22(25(33)30-21)24-23(18-8-3-4-9-20(18)29-24)31-36-13-5-12-32-26(34)16-6-1-2-7-17(16)27(32)35;1-31(15-17-6-4-5-11-27-17)12-13-33-30-23-18-7-2-3-8-20(18)28-24(23)22-19-14-16(26)9-10-21(19)29-25(22)32;1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;25-16-10-11-20-18(14-16)21(24(29)27-20)23-22(17-8-4-5-9-19(17)26-23)28-30-13-12-15-6-2-1-3-7-15;1-25(2)9-10-27-24-18-13-5-3-4-6-15(13)22-19(18)17-14-11-12(21)7-8-16(14)23-20(17)26/h1-4,6-11,14,30,33H,5,12-13H2;2-11,14,29,32H,12-13,15H2,1H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;4-5,8-11,14-15,27,29H,1-3,6-7,12-13H2;3-8,11,23,26H,9-10H2,1-2H3/b31-23+;30-23+;29-23+;28-22+;24-18+
InChIKeyUZJBZAWBDXVLAT-BWZIYCDXSA-N
MW2421.85 g/mol
LogP27.42
Rot. Bonds28

About 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol

5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol (PubChem CID 172983718) has the molecular formula C121H110Br5N19O12 and a molecular weight of 2421.85 g/mol. Its IUPAC name is 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol.

Molecular Properties

Compound Name5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
PubChem CID172983718
Molecular FormulaC121H110Br5N19O12
Molecular Weight2421.85 g/mol
Exact Mass2415.45
IUPAC Name5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol
SMILESCC1CCCC(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.O=C1c2ccccc2C(=O)N1CCCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCCC1
InChIInChI=1S/C27H19BrN4O4.C25H22BrN5O2.C25H26BrN3O2.C24H24BrN3O2.C20H19BrN4O2/c28-15-10-11-21-19(14-15)22(25(33)30-21)24-23(18-8-3-4-9-20(18)29-24)31-36-13-5-12-32-26(34)16-6-1-2-7-17(16)27(32)35;1-31(15-17-6-4-5-11-27-17)12-13-33-30-23-18-7-2-3-8-20(18)28-24(23)22-19-14-16(26)9-10-21(19)29-25(22)32;1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;25-16-10-11-20-18(14-16)21(24(29)27-20)23-22(17-8-4-5-9-19(17)26-23)28-30-13-12-15-6-2-1-3-7-15;1-25(2)9-10-27-24-18-13-5-3-4-6-15(13)22-19(18)17-14-11-12(21)7-8-16(14)23-20(17)26/h1-4,6-11,14,30,33H,5,12-13H2;2-11,14,29,32H,12-13,15H2,1H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;4-5,8-11,14-15,27,29H,1-3,6-7,12-13H2;3-8,11,23,26H,9-10H2,1-2H3/b31-23+;30-23+;29-23+;28-22+;24-18+
InChIKeyUZJBZAWBDXVLAT-BWZIYCDXSA-N
XLogP27.42
TPSA406.60 Ų
H-Bond Donors10
H-Bond Acceptors25
Rotatable Bonds28
Heavy Atoms157
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002421.85
LogP ≤ 527.42
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_imine_A(9)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The IUPAC name of 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol (CID 172983718) is 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol.
What is the SMILES notation for 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The canonical SMILES for 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol is CC1CCCC(CCO/N=C2/C(c3c(O)[nH]c4ccc(Br)cc34)=Nc3ccccc32)C1.CN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CN(CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21)Cc1ccccn1.O=C1c2ccccc2C(=O)N1CCCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.Oc1[nH]c2ccc(Br)cc2c1C1=Nc2ccccc2/C1=N\OCCC1CCCCC1.
What is the InChIKey of 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
The InChIKey is UZJBZAWBDXVLAT-BWZIYCDXSA-N. The full InChI is InChI=1S/C27H19BrN4O4.C25H22BrN5O2.C25H26BrN3O2.C24H24BrN3O2.C20H19BrN4O2/c28-15-10-11-21-19(14-15)22(25(33)30-21)24-23(18-8-3-4-9-20(18)29-24)31-36-13-5-12-32-26(34)16-6-1-2-7-17(16)27(32)35;1-31(15-17-6-4-5-11-27-17)12-13-33-30-23-18-7-2-3-8-20(18)28-24(23)22-19-14-16(26)9-10-21(19)29-25(22)32;1-15-5-4-6-16(13-15)11-12-31-29-23-18-7-2-3-8-20(18)27-24(23)22-19-14-17(26)9-10-21(19)28-25(22)30;25-16-10-11-20-18(14-16)21(24(29)27-20)23-22(17-8-4-5-9-19(17)26-23)28-30-13-12-15-6-2-1-3-7-15;1-25(2)9-10-27-24-18-13-5-3-4-6-15(13)22-19(18)17-14-11-12(21)7-8-16(14)23-20(17)26/h1-4,6-11,14,30,33H,5,12-13H2;2-11,14,29,32H,12-13,15H2,1H3;2-3,7-10,14-16,28,30H,4-6,11-13H2,1H3;4-5,8-11,14-15,27,29H,1-3,6-7,12-13H2;3-8,11,23,26H,9-10H2,1-2H3/b31-23+;30-23+;29-23+;28-22+;24-18+.
What are the key properties of 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol?
5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol has a molecular weight of 2421.85 g/mol, XLogP of 27.42, 28 rotatable bonds, 10 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[(3E)-3-(2-cyclohexylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-(dimethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[3-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxypropyl]isoindole-1,3-dione;5-bromo-3-[(3E)-3-[2-(3-methylcyclohexyl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(pyridin-2-ylmethyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol is sourced from PubChem (CID 172983718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).