6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one

C110H127BrN8O8 — CID 159954226

IUPAC6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one
SMILESCC(/C(=C\CCC1CCC(CCOCCO)CC1)c1ccccc1)=C1\C(=O)Cc2cc(C)ccc21.Cc1ccc2c(C3=Nc4ccccc4/C3=C/CCC3CCCCC3)c(O)[nH]c2c1.Cc1ccc2c(c1)NC(=O)C2C1Nc2ccccc2/C1=C/CCN1CCN(CCOCCO)CC1.Oc1[nH]c2cc(Br)ccc2c1C1=Nc2ccccc2/C1=C/CCC1CCCC1
InChIInChI=1S/C32H40O3.C28H36N4O3.C26H28N2O.C24H23BrN2O/c1-23-11-16-30-28(21-23)22-31(34)32(30)24(2)29(27-8-4-3-5-9-27)10-6-7-25-12-14-26(15-13-25)17-19-35-20-18-33;1-20-8-9-23-25(19-20)30-28(34)26(23)27-22(21-5-2-3-7-24(21)29-27)6-4-10-31-11-13-32(14-12-31)15-17-35-18-16-33;1-17-14-15-21-23(16-17)28-26(29)24(21)25-20(19-11-5-6-13-22(19)27-25)12-7-10-18-8-3-2-4-9-18;25-16-12-13-19-21(14-16)27-24(28)22(19)23-18(10-5-8-15-6-1-2-7-15)17-9-3-4-11-20(17)26-23/h3-5,8-11,16,21,25-26,33H,6-7,12-15,17-20,22H2,1-2H3;2-3,5-9,19,26-27,29,33H,4,10-18H2,1H3,(H,30,34);5-6,11-16,18,28-29H,2-4,7-10H2,1H3;3-4,9-15,27-28H,1-2,5-8H2/b29-10+,32-24+;22-6-;20-12-;18-10-
InChIKeyKLVJKRLWRMOEBK-GBHZPIAFSA-N
MW1769.18 g/mol
LogP24.07
Rot. Bonds27

About 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one

6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one (PubChem CID 159954226) has the molecular formula C110H127BrN8O8 and a molecular weight of 1769.18 g/mol. Its IUPAC name is 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one
PubChem CID159954226
Molecular FormulaC110H127BrN8O8
Molecular Weight1769.18 g/mol
Exact Mass1766.90
IUPAC Name6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one
SMILESCC(/C(=C\CCC1CCC(CCOCCO)CC1)c1ccccc1)=C1\C(=O)Cc2cc(C)ccc21.Cc1ccc2c(C3=Nc4ccccc4/C3=C/CCC3CCCCC3)c(O)[nH]c2c1.Cc1ccc2c(c1)NC(=O)C2C1Nc2ccccc2/C1=C/CCN1CCN(CCOCCO)CC1.Oc1[nH]c2cc(Br)ccc2c1C1=Nc2ccccc2/C1=C/CCC1CCCC1
InChIInChI=1S/C32H40O3.C28H36N4O3.C26H28N2O.C24H23BrN2O/c1-23-11-16-30-28(21-23)22-31(34)32(30)24(2)29(27-8-4-3-5-9-27)10-6-7-25-12-14-26(15-13-25)17-19-35-20-18-33;1-20-8-9-23-25(19-20)30-28(34)26(23)27-22(21-5-2-3-7-24(21)29-27)6-4-10-31-11-13-32(14-12-31)15-17-35-18-16-33;1-17-14-15-21-23(16-17)28-26(29)24(21)25-20(19-11-5-6-13-22(19)27-25)12-7-10-18-8-3-2-4-9-18;25-16-12-13-19-21(14-16)27-24(28)22(19)23-18(10-5-8-15-6-1-2-7-15)17-9-3-4-11-20(17)26-23/h3-5,8-11,16,21,25-26,33H,6-7,12-15,17-20,22H2,1-2H3;2-3,5-9,19,26-27,29,33H,4,10-18H2,1H3,(H,30,34);5-6,11-16,18,28-29H,2-4,7-10H2,1H3;3-4,9-15,27-28H,1-2,5-8H2/b29-10+,32-24+;22-6-;20-12-;18-10-
InChIKeyKLVJKRLWRMOEBK-GBHZPIAFSA-N
XLogP24.07
TPSA220.36 Ų
H-Bond Donors8
H-Bond Acceptors13
Rotatable Bonds27
Heavy Atoms127
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001769.18
LogP ≤ 524.07
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one with MolForge

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Related Compounds

2-[(E)-[2-(5-bromo-2-hydroxy-1H-indol-3-yl)indol-3-ylidene]amino]oxyethyl-methyl-propylazanium;5-bromo-3-[(3E)-3-[2-(3-methylpiperidin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[(3E)-3-[2-[methyl(propyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;(3Z)-5-bromo-3-[(3E)-3-(2-piperidin-1-ylethoxyimino)-1H-indol-2-ylidene]-1H-inden-2-one
CID 172916925
(3E)-6-bromo-3-[(3Z)-3-[2-(diethylamino)ethoxyimino]-5-methyl-1H-inden-2-ylidene]-1H-indol-2-one;(3E)-3-[(3E)-3-(3-hydroxypentylidene)-1H-inden-2-ylidene]-6-methyl-1H-inden-2-one;(3E)-6-methyl-3-[(3Z)-5-methyl-3-(5-methylhexylidene)-1H-inden-2-ylidene]-1H-indol-2-one;6-methyl-3-[5-methyl-3-(2-pyrrolidin-1-ylethyldiazenyl)-1H-inden-2-yl]-1H-indol-2-ol;(3E)-6-methyl-3-[(3E)-3-(3-piperidin-1-ylpropylidene)-1H-inden-2-ylidene]-1H-indol-2-one
CID 172944318
5-bromo-3-[(3E)-3-(2-cyclopentylethoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(diethylamino)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-(3-ethylpentoxyimino)indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-[2-hydroxybutyl(methyl)amino]ethoxyimino]indol-2-yl]-1H-indol-2-ol;2-[[(2E)-2-(5-bromo-2-oxo-1H-indol-3-ylidene)-3H-inden-1-ylidene]amino]oxyethyl-(2-hydroxybutyl)-methylazanium;5-bromo-3-[3-[2-(4-propylpiperazin-1-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol;5-bromo-3-[3-[2-(1-propylpiperidin-1-ium-4-yl)ethoxyimino]indol-2-yl]-1H-indol-2-ol
CID 172965970

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one?
The IUPAC name of 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one (CID 159954226) is 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one.
What is the SMILES notation for 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one?
The canonical SMILES for 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one is CC(/C(=C\CCC1CCC(CCOCCO)CC1)c1ccccc1)=C1\C(=O)Cc2cc(C)ccc21.Cc1ccc2c(C3=Nc4ccccc4/C3=C/CCC3CCCCC3)c(O)[nH]c2c1.Cc1ccc2c(c1)NC(=O)C2C1Nc2ccccc2/C1=C/CCN1CCN(CCOCCO)CC1.Oc1[nH]c2cc(Br)ccc2c1C1=Nc2ccccc2/C1=C/CCC1CCCC1.
What is the InChIKey of 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one?
The InChIKey is KLVJKRLWRMOEBK-GBHZPIAFSA-N. The full InChI is InChI=1S/C32H40O3.C28H36N4O3.C26H28N2O.C24H23BrN2O/c1-23-11-16-30-28(21-23)22-31(34)32(30)24(2)29(27-8-4-3-5-9-27)10-6-7-25-12-14-26(15-13-25)17-19-35-20-18-33;1-20-8-9-23-25(19-20)30-28(34)26(23)27-22(21-5-2-3-7-24(21)29-27)6-4-10-31-11-13-32(14-12-31)15-17-35-18-16-33;1-17-14-15-21-23(16-17)28-26(29)24(21)25-20(19-11-5-6-13-22(19)27-25)12-7-10-18-8-3-2-4-9-18;25-16-12-13-19-21(14-16)27-24(28)22(19)23-18(10-5-8-15-6-1-2-7-15)17-9-3-4-11-20(17)26-23/h3-5,8-11,16,21,25-26,33H,6-7,12-15,17-20,22H2,1-2H3;2-3,5-9,19,26-27,29,33H,4,10-18H2,1H3,(H,30,34);5-6,11-16,18,28-29H,2-4,7-10H2,1H3;3-4,9-15,27-28H,1-2,5-8H2/b29-10+,32-24+;22-6-;20-12-;18-10-.
What are the key properties of 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one?
6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one has a molecular weight of 1769.18 g/mol, XLogP of 24.07, 27 rotatable bonds, 8 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-[(3Z)-3-(3-cyclopentylpropylidene)indol-2-yl]-1H-indol-2-ol;3-[(3Z)-3-(3-cyclohexylpropylidene)indol-2-yl]-6-methyl-1H-indol-2-ol;(3E)-3-[(Z)-6-[4-[2-(2-hydroxyethoxy)ethyl]cyclohexyl]-3-phenylhex-3-en-2-ylidene]-6-methyl-1H-inden-2-one;3-[(3Z)-3-[3-[4-[2-(2-hydroxyethoxy)ethyl]piperazin-1-yl]propylidene]-1,2-dihydroindol-2-yl]-6-methyl-1,3-dihydroindol-2-one is sourced from PubChem (CID 159954226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).