(E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride

C190H210Cl2N14O14 — CID 157412825

IUPAC(E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride
SMILESCC1Cc2ccccc2N1C(=O)CCCCCCC(=O)/C=C/c1cccnc1.COC(=O)Cc1cn(CCCCCCCC(=O)/C=C/c2cccnc2)c2ccccc12.Cc1cc2ccccc2n1CCCCCCCC(=O)/C=C/c1cccnc1.O=C(/C=C/c1ccc[nH+]c1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1.O=C(/C=C/c1ccc[nH+]c1)CCCCCCCn1c(-c2ccccc2)cc2ccccc21.O=C(/C=C/c1cccnc1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1.O=C(/C=C/c1cccnc1)CCCCCCCN1c2cc(O)c(O)cc2CC1c1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C29H32N2O3.2C29H30N2O2.C29H30N2O.C26H30N2O3.C24H28N2O2.C24H28N2O.2ClH/c32-25(15-14-22-10-9-16-30-21-22)13-7-2-1-3-8-17-31-26(23-11-5-4-6-12-23)18-24-19-28(33)29(34)20-27(24)31;2*32-26(19-18-23-11-10-20-30-22-23)15-6-1-2-7-17-29(33)31-27-16-9-8-14-25(27)21-28(31)24-12-4-3-5-13-24;32-27(19-18-24-12-11-20-30-23-24)16-7-2-1-3-10-21-31-28-17-9-8-15-26(28)22-29(31)25-13-5-4-6-14-25;1-31-26(30)18-22-20-28(25-13-7-6-12-24(22)25)17-8-4-2-3-5-11-23(29)15-14-21-10-9-16-27-19-21;1-19-17-21-10-6-7-12-23(21)26(19)24(28)13-5-3-2-4-11-22(27)15-14-20-9-8-16-25-18-20;1-20-18-22-11-6-7-13-24(22)26(20)17-8-4-2-3-5-12-23(27)15-14-21-10-9-16-25-19-21;;/h4-6,9-12,14-16,19-21,26,33-34H,1-3,7-8,13,17-18H2;2*3-5,8-14,16,18-20,22,28H,1-2,6-7,15,17,21H2;4-6,8-9,11-15,17-20,22-23H,1-3,7,10,16,21H2;6-7,9-10,12-16,19-20H,2-5,8,11,17-18H2,1H3;6-10,12,14-16,18-19H,2-5,11,13,17H2,1H3;6-7,9-11,13-16,18-19H,2-5,8,12,17H2,1H3;2*1H/b15-14+;3*19-18+;3*15-14+;;
InChIKeyUUZSCHJHVRNSBB-JEKIHMLCSA-N
MW2984.76 g/mol
LogP35.39
Rot. Bonds73

About (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride

(E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride (PubChem CID 157412825) has the molecular formula C190H210Cl2N14O14 and a molecular weight of 2984.76 g/mol. Its IUPAC name is (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride.

Molecular Properties

Compound Name(E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride
PubChem CID157412825
Molecular FormulaC190H210Cl2N14O14
Molecular Weight2984.76 g/mol
Exact Mass2981.55
IUPAC Name(E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride
SMILESCC1Cc2ccccc2N1C(=O)CCCCCCC(=O)/C=C/c1cccnc1.COC(=O)Cc1cn(CCCCCCCC(=O)/C=C/c2cccnc2)c2ccccc12.Cc1cc2ccccc2n1CCCCCCCC(=O)/C=C/c1cccnc1.O=C(/C=C/c1ccc[nH+]c1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1.O=C(/C=C/c1ccc[nH+]c1)CCCCCCCn1c(-c2ccccc2)cc2ccccc21.O=C(/C=C/c1cccnc1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1.O=C(/C=C/c1cccnc1)CCCCCCCN1c2cc(O)c(O)cc2CC1c1ccccc1.[Cl-].[Cl-]
InChIInChI=1S/C29H32N2O3.2C29H30N2O2.C29H30N2O.C26H30N2O3.C24H28N2O2.C24H28N2O.2ClH/c32-25(15-14-22-10-9-16-30-21-22)13-7-2-1-3-8-17-31-26(23-11-5-4-6-12-23)18-24-19-28(33)29(34)20-27(24)31;2*32-26(19-18-23-11-10-20-30-22-23)15-6-1-2-7-17-29(33)31-27-16-9-8-14-25(27)21-28(31)24-12-4-3-5-13-24;32-27(19-18-24-12-11-20-30-23-24)16-7-2-1-3-10-21-31-28-17-9-8-15-26(28)22-29(31)25-13-5-4-6-14-25;1-31-26(30)18-22-20-28(25-13-7-6-12-24(22)25)17-8-4-2-3-5-11-23(29)15-14-21-10-9-16-27-19-21;1-19-17-21-10-6-7-12-23(21)26(19)24(28)13-5-3-2-4-11-22(27)15-14-20-9-8-16-25-18-20;1-20-18-22-11-6-7-13-24(22)26(20)17-8-4-2-3-5-12-23(27)15-14-21-10-9-16-25-19-21;;/h4-6,9-12,14-16,19-21,26,33-34H,1-3,7-8,13,17-18H2;2*3-5,8-14,16,18-20,22,28H,1-2,6-7,15,17,21H2;4-6,8-9,11-15,17-20,22-23H,1-3,7,10,16,21H2;6-7,9-10,12-16,19-20H,2-5,8,11,17-18H2,1H3;6-10,12,14-16,18-19H,2-5,11,13,17H2,1H3;6-7,9-11,13-16,18-19H,2-5,8,12,17H2,1H3;2*1H/b15-14+;3*19-18+;3*15-14+;;
InChIKeyUUZSCHJHVRNSBB-JEKIHMLCSA-N
XLogP35.39
TPSA357.94 Ų
H-Bond Donors2
H-Bond Acceptors23
Rotatable Bonds73
Heavy Atoms220
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002984.76
LogP ≤ 535.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride with MolForge

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Launch Full Analysis

Related Compounds

1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-fluoro-2-methyl-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(5-hydroxy-1H-indol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-indol-1-ylpropan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1H-indol-2-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(1-methylindol-3-yl)propan-1-one;1-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-3-(2-methyl-1H-indol-3-yl)propan-1-one
CID 157277976
1,2-dideuterio-10-(2-phenylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one;10-(2-phenylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-1-(2-phenylindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one
CID 157683750
(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-5-hydroxy-1-methylindol-2-one;(3Z)-3-[(3,5-dimethyl-1H-pyrrol-2-yl)methylidene]-1-methylindol-2-one;(3Z)-3-[(5-ethyl-3-methyl-1H-pyrrol-2-yl)methylidene]-1-methylindol-2-one;3-[4-methyl-2-[(Z)-(1-methyl-2-oxoindol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;3-[5-methyl-2-[(Z)-(1-methyl-2-oxoindol-3-ylidene)methyl]-1H-pyrrol-3-yl]propanoic acid;3-[2-[(Z)-(1-methyl-2-oxoindol-3-ylidene)methyl]-4,5,6,7-tetrahydro-1H-indol-3-yl]propanoic acid
CID 157754064
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;1H-indol-5-ol;2-(1H-indol-3-yl)acetic acid;2-(1H-indol-3-yl)ethanol;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenylindole
CID 159770098
1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5,6-dihydroxy-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(5-methyl-2-phenylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-10-(6-phenyl-[1,3]dioxolo[4,5-f]indol-5-yl)-1-pyridin-3-yldec-1-en-3-one
CID 159962744
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;bis(6,11-dihydro-5H-benzo[b][1]benzazepine);9-ethenylcarbazole;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol
CID 160203541
[3-(2-acetamidoethyl)-5-methoxy-1H-indol-6-yl] hydrogen sulfate;3-(2-aminoethyl)-1H-indol-5-ol;2-amino-3-(1H-indol-3-yl)propanoic acid;N-[3-(2-amino-5-methoxyphenyl)-3-oxopropyl]acetamide;N-[3-(2-formamido-5-methoxyphenyl)-3-oxopropyl]acetamide;N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide;N-[2-(6-hydroxy-5-methoxy-1H-indol-3-yl)ethyl]acetamide;N-[2-(5-methoxy-1H-indol-3-yl)ethyl]acetamide
CID 160350554
8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylic acid;2-(3,4-dimethoxyphenyl)ethanamine;N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide;1-ethyl-6,7-dimethoxy-3,4-dihydroisoquinoline;ethyl 8,9-dimethoxy-1-methyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;ethyl 8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxylate;N-[(2R)-1-hydroxy-3-(1H-indol-3-yl)propan-2-yl]-8,9-dimethoxy-1-methyl-3-phenyl-5,6-dihydropyrrolo[2,1-a]isoquinoline-2-carboxamide
CID 160556605
1-azatricyclo[7.3.1.05,13]trideca-5(13),6,8-triene;1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-trien-6-ol;9H-carbazole;6,11-dihydro-5H-benzo[b][1]benzazepine;9-ethenylcarbazole;2-(1H-indol-3-yl)acetic acid;9-methylcarbazole;9-methylcarbazol-2-ol;1-methyl-2-phenyl-2,3-dihydroindole
CID 160700188
bis([1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-4-ylmethanone);1-[2-(1H-indol-3-yl)ethyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline;pyridine-4-carboxylic acid
CID 160732877
9,10-dideuterio-1-(5-hydroxy-2,3-dihydroindol-1-yl)-10-pyridin-3-yldecane-1,8-dione;1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;bis((E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one)
CID 160951100
(1S,2R)-1,2-dideuterio-10-(5-hydroxyindol-1-yl)-1-pyridin-3-yldecan-3-one;1,2-dideuterio-10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;ethyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enoyl]-2,3-dihydroindol-3-yl]acetate;ethyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;10-(5-methylindol-1-yl)-1-pyridin-3-yldecan-3-one;(E)-10-(5-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one
CID 161332600

Frequently Asked Questions

What is the IUPAC name of (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride?
The IUPAC name of (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride (CID 157412825) is (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride.
What is the SMILES notation for (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride?
The canonical SMILES for (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride is CC1Cc2ccccc2N1C(=O)CCCCCCC(=O)/C=C/c1cccnc1.COC(=O)Cc1cn(CCCCCCCC(=O)/C=C/c2cccnc2)c2ccccc12.Cc1cc2ccccc2n1CCCCCCCC(=O)/C=C/c1cccnc1.O=C(/C=C/c1ccc[nH+]c1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1.O=C(/C=C/c1ccc[nH+]c1)CCCCCCCn1c(-c2ccccc2)cc2ccccc21.O=C(/C=C/c1cccnc1)CCCCCCC(=O)N1c2ccccc2CC1c1ccccc1.O=C(/C=C/c1cccnc1)CCCCCCCN1c2cc(O)c(O)cc2CC1c1ccccc1.[Cl-].[Cl-].
What is the InChIKey of (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride?
The InChIKey is UUZSCHJHVRNSBB-JEKIHMLCSA-N. The full InChI is InChI=1S/C29H32N2O3.2C29H30N2O2.C29H30N2O.C26H30N2O3.C24H28N2O2.C24H28N2O.2ClH/c32-25(15-14-22-10-9-16-30-21-22)13-7-2-1-3-8-17-31-26(23-11-5-4-6-12-23)18-24-19-28(33)29(34)20-27(24)31;2*32-26(19-18-23-11-10-20-30-22-23)15-6-1-2-7-17-29(33)31-27-16-9-8-14-25(27)21-28(31)24-12-4-3-5-13-24;32-27(19-18-24-12-11-20-30-23-24)16-7-2-1-3-10-21-31-28-17-9-8-15-26(28)22-29(31)25-13-5-4-6-14-25;1-31-26(30)18-22-20-28(25-13-7-6-12-24(22)25)17-8-4-2-3-5-11-23(29)15-14-21-10-9-16-27-19-21;1-19-17-21-10-6-7-12-23(21)26(19)24(28)13-5-3-2-4-11-22(27)15-14-20-9-8-16-25-18-20;1-20-18-22-11-6-7-13-24(22)26(20)17-8-4-2-3-5-12-23(27)15-14-21-10-9-16-25-19-21;;/h4-6,9-12,14-16,19-21,26,33-34H,1-3,7-8,13,17-18H2;2*3-5,8-14,16,18-20,22,28H,1-2,6-7,15,17,21H2;4-6,8-9,11-15,17-20,22-23H,1-3,7,10,16,21H2;6-7,9-10,12-16,19-20H,2-5,8,11,17-18H2,1H3;6-10,12,14-16,18-19H,2-5,11,13,17H2,1H3;6-7,9-11,13-16,18-19H,2-5,8,12,17H2,1H3;2*1H/b15-14+;3*19-18+;3*15-14+;;.
What are the key properties of (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride?
(E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride has a molecular weight of 2984.76 g/mol, XLogP of 35.39, 73 rotatable bonds, 2 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-10-(5,6-dihydroxy-2-phenyl-2,3-dihydroindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;(E)-1-(2-methyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-methylindol-1-yl)-1-pyridin-3-yldec-1-en-3-one;methyl 2-[1-[(E)-8-oxo-10-pyridin-3-yldec-9-enyl]indol-3-yl]acetate;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-1-ium-3-yldec-9-ene-1,8-dione;(E)-1-(2-phenyl-2,3-dihydroindol-1-yl)-10-pyridin-3-yldec-9-ene-1,8-dione;(E)-10-(2-phenylindol-1-yl)-1-pyridin-1-ium-3-yldec-1-en-3-one;dichloride is sourced from PubChem (CID 157412825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).