7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium

C201H194BrClI11N15O30PdV2-3 — CID 158530142

IUPAC7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium
SMILESBrc1cccc2cc[nH]c12.CC.CC(I)(I)I.CC(I)I.CCI.CCI.CO.COC(=O)/C=C/c1cccc2cc[nH]c12.COC(=O)CCc1cccc2c(C(=O)C(=O)OC)c[nH]c12.COC(=O)CCc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)CC3=O)c[nH]c12.COC(=O)CCc1cccc2c([C@@H]3C(=O)CC(=O)[C@H]3c3c[nH]c4ccccc34)c[nH]c12.COC(=O)CCc1cccc2c([C@H]3C(=O)CC(=O)[C@@H]3c3c[nH]c4ccccc34)c[nH]c12.C[CH-]I.I[V](I)I.O=C(CCc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)CC3=O)c[nH]c12)OCCCCCl.O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3=O)[C@@H]1c1c[nH]c2ccccc12.O=C1CC(=O)[C@H](c2cn3c4c(cccc24)CCC3=O)[C@H]1c1c[nH]c2ccccc12.[CH3-].[CH3-].[Pd].[V]
InChIInChI=1S/C28H25ClN2O4.2C25H22N2O4.C25H20N2O4.2C24H18N2O3.C15H15NO5.C12H11NO2.C8H6BrN.C2H3I3.C2H4I2.2C2H5I.C2H4I.C2H6.CH4O.2CH3.3HI.Pd.2V/c29-12-3-4-13-35-25(34)11-10-17-6-5-8-19-21(16-31-28(17)19)27-24(33)14-23(32)26(27)20-15-30-22-9-2-1-7-18(20)22;3*1-31-22(30)10-9-14-5-4-7-16-18(13-27-25(14)16)24-21(29)11-20(28)23(24)17-12-26-19-8-3-2-6-15(17)19;2*27-19-10-20(28)23(22(19)16-11-25-18-7-2-1-5-14(16)18)17-12-26-21(29)9-8-13-4-3-6-15(17)24(13)26;1-20-12(17)7-6-9-4-3-5-10-11(8-16-13(9)10)14(18)15(19)21-2;1-15-11(14)6-5-9-3-2-4-10-7-8-13-12(9)10;9-7-3-1-2-6-4-5-10-8(6)7;1-2(3,4)5;1-2(3)4;3*1-2-3;2*1-2;;;;;;;;/h1-2,5-9,15-16,30-31H,3-4,10-14H2;2*2-8,12-13,23-24,26-27H,9-11H2,1H3;2-8,12-13,26-27H,9-11H2,1H3;2*1-7,11-12,22-23,25H,8-10H2;3-5,8,16H,6-7H2,1-2H3;2-8,13H,1H3;1-5,10H;1H3;2H,1H3;2*2H2,1H3;2H,1H3;1-2H3;2H,1H3;2*1H3;3*1H;;;/q;;;;;;;;;;;;;-1;;;2*-1;;;;;;+3/p-3/b;;;;;;;6-5+;;;;;;;;;;;;;;;;/t;2*23-,24-;;2*22-,23-;;;;;;;;;;;;;;;;;;/m.10.10................../s1
InChIKeyQGMFCQNCHWMVNS-RCLYOOKFSA-K
MW5019.45 g/mol
LogP47.12
Rot. Bonds35

About 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium

7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium (PubChem CID 158530142) has the molecular formula C201H194BrClI11N15O30PdV2-3 and a molecular weight of 5019.45 g/mol. Its IUPAC name is 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium.

Molecular Properties

Compound Name7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium
PubChem CID158530142
Molecular FormulaC201H194BrClI11N15O30PdV2-3
Molecular Weight5019.45 g/mol
Exact Mass5015.04
IUPAC Name7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium
SMILESBrc1cccc2cc[nH]c12.CC.CC(I)(I)I.CC(I)I.CCI.CCI.CO.COC(=O)/C=C/c1cccc2cc[nH]c12.COC(=O)CCc1cccc2c(C(=O)C(=O)OC)c[nH]c12.COC(=O)CCc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)CC3=O)c[nH]c12.COC(=O)CCc1cccc2c([C@@H]3C(=O)CC(=O)[C@H]3c3c[nH]c4ccccc34)c[nH]c12.COC(=O)CCc1cccc2c([C@H]3C(=O)CC(=O)[C@@H]3c3c[nH]c4ccccc34)c[nH]c12.C[CH-]I.I[V](I)I.O=C(CCc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)CC3=O)c[nH]c12)OCCCCCl.O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3=O)[C@@H]1c1c[nH]c2ccccc12.O=C1CC(=O)[C@H](c2cn3c4c(cccc24)CCC3=O)[C@H]1c1c[nH]c2ccccc12.[CH3-].[CH3-].[Pd].[V]
InChIInChI=1S/C28H25ClN2O4.2C25H22N2O4.C25H20N2O4.2C24H18N2O3.C15H15NO5.C12H11NO2.C8H6BrN.C2H3I3.C2H4I2.2C2H5I.C2H4I.C2H6.CH4O.2CH3.3HI.Pd.2V/c29-12-3-4-13-35-25(34)11-10-17-6-5-8-19-21(16-31-28(17)19)27-24(33)14-23(32)26(27)20-15-30-22-9-2-1-7-18(20)22;3*1-31-22(30)10-9-14-5-4-7-16-18(13-27-25(14)16)24-21(29)11-20(28)23(24)17-12-26-19-8-3-2-6-15(17)19;2*27-19-10-20(28)23(22(19)16-11-25-18-7-2-1-5-14(16)18)17-12-26-21(29)9-8-13-4-3-6-15(17)24(13)26;1-20-12(17)7-6-9-4-3-5-10-11(8-16-13(9)10)14(18)15(19)21-2;1-15-11(14)6-5-9-3-2-4-10-7-8-13-12(9)10;9-7-3-1-2-6-4-5-10-8(6)7;1-2(3,4)5;1-2(3)4;3*1-2-3;2*1-2;;;;;;;;/h1-2,5-9,15-16,30-31H,3-4,10-14H2;2*2-8,12-13,23-24,26-27H,9-11H2,1H3;2-8,12-13,26-27H,9-11H2,1H3;2*1-7,11-12,22-23,25H,8-10H2;3-5,8,16H,6-7H2,1-2H3;2-8,13H,1H3;1-5,10H;1H3;2H,1H3;2*2H2,1H3;2H,1H3;1-2H3;2H,1H3;2*1H3;3*1H;;;/q;;;;;;;;;;;;;-1;;;2*-1;;;;;;+3/p-3/b;;;;;;;6-5+;;;;;;;;;;;;;;;;/t;2*23-,24-;;2*22-,23-;;;;;;;;;;;;;;;;;;/m.10.10................../s1
InChIKeyQGMFCQNCHWMVNS-RCLYOOKFSA-K
XLogP47.12
TPSA675.51 Ų
H-Bond Donors14
H-Bond Acceptors32
Rotatable Bonds35
Heavy Atoms262
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005019.45
LogP ≤ 547.12
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1032

Analyze 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium with MolForge

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Related Compounds

1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanone;3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;tetrakis(carbon dioxide);ethane;3-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;bis(methyl (E)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(1H-indol-3-yl)but-2-enoate);methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;phenylmethanamine;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
CID 158069310
potassium;7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
CID 158599361
7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione
CID 158954931
potassium;benzene;tetrakis(1,1'-biphenyl);7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;2-methylpropan-2-olate;palladium;phosphane;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;triphenylphosphane
CID 159185856
7-bromo-1-prop-2-enylindole;4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopent-4-ene-1,3-dione;2-(1H-indol-3-yl)acetamide;methyl 2-(7-bromo-1-prop-2-enylindol-3-yl)-2-oxoacetate;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(7-bromo-1-prop-2-enylindol-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
CID 159234194
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanone;3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;carbanide;tetrakis(carbon dioxide);3-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;bis(methyl (E)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(1H-indol-3-yl)but-2-enoate);methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;bis(palladium);phenylmethanamine;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
CID 159570800
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanone;3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;tetrakis(carbon dioxide);ethane;3-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methyl 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(1H-indol-3-yl)butanoate;methyl (E)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(1H-indol-3-yl)but-2-enoate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;phenylmethanamine;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
CID 160920742
1-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)ethanone;3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-4-(1H-indol-3-yl)-1-methylpyrrolidine-2,5-dione;tetrakis(carbon dioxide);ethane;3-ethyl-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraene;methane;methyl 3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(1H-indol-3-yl)butanoate;methyl (E)-3-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-2-(1H-indol-3-yl)but-2-enoate;methyl 2-(1H-indol-3-yl)acetate;methyl 2-(1H-indol-3-yl)-2-oxoacetate;oxolane;phenylmethanamine;trans-(4R,5R)-4-(1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)-5-(1H-indol-3-yl)cyclopentane-1,3-dione
CID 162192479

Frequently Asked Questions

What is the IUPAC name of 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium?
The IUPAC name of 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium (CID 158530142) is 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium.
What is the SMILES notation for 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium?
The canonical SMILES for 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium is Brc1cccc2cc[nH]c12.CC.CC(I)(I)I.CC(I)I.CCI.CCI.CO.COC(=O)/C=C/c1cccc2cc[nH]c12.COC(=O)CCc1cccc2c(C(=O)C(=O)OC)c[nH]c12.COC(=O)CCc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)CC3=O)c[nH]c12.COC(=O)CCc1cccc2c([C@@H]3C(=O)CC(=O)[C@H]3c3c[nH]c4ccccc34)c[nH]c12.COC(=O)CCc1cccc2c([C@H]3C(=O)CC(=O)[C@@H]3c3c[nH]c4ccccc34)c[nH]c12.C[CH-]I.I[V](I)I.O=C(CCc1cccc2c(C3=C(c4c[nH]c5ccccc45)C(=O)CC3=O)c[nH]c12)OCCCCCl.O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3=O)[C@@H]1c1c[nH]c2ccccc12.O=C1CC(=O)[C@H](c2cn3c4c(cccc24)CCC3=O)[C@H]1c1c[nH]c2ccccc12.[CH3-].[CH3-].[Pd].[V].
What is the InChIKey of 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium?
The InChIKey is QGMFCQNCHWMVNS-RCLYOOKFSA-K. The full InChI is InChI=1S/C28H25ClN2O4.2C25H22N2O4.C25H20N2O4.2C24H18N2O3.C15H15NO5.C12H11NO2.C8H6BrN.C2H3I3.C2H4I2.2C2H5I.C2H4I.C2H6.CH4O.2CH3.3HI.Pd.2V/c29-12-3-4-13-35-25(34)11-10-17-6-5-8-19-21(16-31-28(17)19)27-24(33)14-23(32)26(27)20-15-30-22-9-2-1-7-18(20)22;3*1-31-22(30)10-9-14-5-4-7-16-18(13-27-25(14)16)24-21(29)11-20(28)23(24)17-12-26-19-8-3-2-6-15(17)19;2*27-19-10-20(28)23(22(19)16-11-25-18-7-2-1-5-14(16)18)17-12-26-21(29)9-8-13-4-3-6-15(17)24(13)26;1-20-12(17)7-6-9-4-3-5-10-11(8-16-13(9)10)14(18)15(19)21-2;1-15-11(14)6-5-9-3-2-4-10-7-8-13-12(9)10;9-7-3-1-2-6-4-5-10-8(6)7;1-2(3,4)5;1-2(3)4;3*1-2-3;2*1-2;;;;;;;;/h1-2,5-9,15-16,30-31H,3-4,10-14H2;2*2-8,12-13,23-24,26-27H,9-11H2,1H3;2-8,12-13,26-27H,9-11H2,1H3;2*1-7,11-12,22-23,25H,8-10H2;3-5,8,16H,6-7H2,1-2H3;2-8,13H,1H3;1-5,10H;1H3;2H,1H3;2*2H2,1H3;2H,1H3;1-2H3;2H,1H3;2*1H3;3*1H;;;/q;;;;;;;;;;;;;-1;;;2*-1;;;;;;+3/p-3/b;;;;;;;6-5+;;;;;;;;;;;;;;;;/t;2*23-,24-;;2*22-,23-;;;;;;;;;;;;;;;;;;/m.10.10................../s1.
What are the key properties of 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium?
7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium has a molecular weight of 5019.45 g/mol, XLogP of 47.12, 35 rotatable bonds, 14 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-1H-indole;carbanide;4-chlorobutyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;1,1-diiodoethane;ethane;iodoethane;iodoethane;methanol;methyl 3-[3-[2-(1H-indol-3-yl)-3,5-dioxocyclopenten-1-yl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1S,2S)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl 3-[3-[(1R,2R)-2-(1H-indol-3-yl)-3,5-dioxocyclopentyl]-1H-indol-7-yl]propanoate;methyl (E)-3-(1H-indol-7-yl)prop-2-enoate;methyl 3-[3-(2-methoxy-2-oxoacetyl)-1H-indol-7-yl]propanoate;palladium;trans-(4S,5S)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;trans-(4R,5R)-4-(1H-indol-3-yl)-5-(11-oxo-1-azatricyclo[6.3.1.04,12]dodeca-2,4,6,8(12)-tetraen-3-yl)cyclopentane-1,3-dione;1,1,1-triiodoethane;triiodovanadium;vanadium is sourced from PubChem (CID 158530142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).