5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium

C91H98Br4N15O10+ — CID 172927378

About 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium

5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium (PubChem CID 172927378) has the molecular formula C91H98Br4N15O10+ and a molecular weight of 1881.50 g/mol. Its IUPAC name is 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium.

Molecular Properties

• Compound Name: 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium
• PubChem CID: 172927378
• Molecular Formula: C91H98Br4N15O10+
• Molecular Weight: 1881.50 g/mol
• Exact Mass: 1876.43
• IUPAC Name: 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium
• SMILES: CCC(CC)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)CN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)C[NH+](C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCN(CC)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21
• InChI: InChI=1S/2C23H25BrN4O3.C23H24BrN3O2.C22H23BrN4O2/c2*1-3-15(29)13-28(2)10-11-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-12-14(24)8-9-19(17)26-23(20)30;1-3-14(4-2)11-12-29-27-21-16-7-5-6-8-18(16)25-22(21)20-17-13-15(24)9-10-19(17)26-23(20)28;1-3-27(4-2)11-12-29-26-20-15-7-5-6-8-17(15)24-21(20)19-16-13-14(23)9-10-18(16)25-22(19)28/h2*4-9,12,15,26,29-30H,3,10-11,13H2,1-2H3;5-10,13-14,26,28H,3-4,11-12H2,1-2H3;5-10,13,25,28H,3-4,11-12H2,1-2H3/p+1/b3*27-21+;26-20+
• InChIKey: WKOFMEZYTDGWNB-NGJDARMPSA-O
• XLogP: 18.12
• TPSA: 331.26 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 120
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1881.50
LogP ≤ 5	18.12
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	20

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'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium?

The IUPAC name of 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium (CID 172927378) is 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium.

What is the SMILES notation for 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium?

The canonical SMILES for 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium is CCC(CC)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)CN(C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCC(O)C[NH+](C)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.CCN(CC)CCO/N=C1/C(c2c(O)[nH]c3ccc(Br)cc23)=Nc2ccccc21.

What is the InChIKey of 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium?

The InChIKey is WKOFMEZYTDGWNB-NGJDARMPSA-O. The full InChI is InChI=1S/2C23H25BrN4O3.C23H24BrN3O2.C22H23BrN4O2/c2*1-3-15(29)13-28(2)10-11-31-27-21-16-6-4-5-7-18(16)25-22(21)20-17-12-14(24)8-9-19(17)26-23(20)30;1-3-14(4-2)11-12-29-27-21-16-7-5-6-8-18(16)25-22(21)20-17-13-15(24)9-10-19(17)26-23(20)28;1-3-27(4-2)11-12-29-26-20-15-7-5-6-8-17(15)24-21(20)19-16-13-14(23)9-10-18(16)25-22(19)28/h2*4-9,12,15,26,29-30H,3,10-11,13H2,1-2H3;5-10,13-14,26,28H,3-4,11-12H2,1-2H3;5-10,13,25,28H,3-4,11-12H2,1-2H3/p+1/b3*27-21+;26-20+.

What are the key properties of 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium?

5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium has a molecular weight of 1881.50 g/mol, XLogP of 18.12, 30 rotatable bonds, 11 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-3-[(3E)-3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium is sourced from PubChem (CID 172927378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).