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

C161H156N14O23Pd2-2 — CID 159570800

About 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

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 (PubChem CID 159570800) has the molecular formula C161H156N14O23Pd2-2 and a molecular weight of 2867.93 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 159570800
• Molecular Formula: C161H156N14O23Pd2-2
• Molecular Weight: 2867.93 g/mol
• Exact Mass: 2864.95
• IUPAC Name: 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
• SMILES: C1CCOC1.CC(=O)c1cn2c3c(cccc13)CCC2.CCc1cn2c3c(cccc13)CCC2.CN1C(=O)C(c2c[nH]c3ccccc23)C(c2cn3c4c(cccc24)CCC3)C1=O.COC(=O)/C(=C(\C)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)/C(=C(\C)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)C(=O)c1c[nH]c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.NCc1ccccc1.O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12.O=C=O.O=C=O.O=C=O.O=C=O.[CH3-].[CH3-].[Pd].[Pd]
• InChI: InChI=1S/C24H21N3O2.C24H20N2O2.2C24H22N2O2.C13H13NO.C13H15N.C11H9NO3.C11H11NO2.C7H9N.C4H8O.4CO2.2CH3.2Pd/c1-26-23(28)20(17-12-25-19-10-3-2-8-15(17)19)21(24(26)29)18-13-27-11-5-7-14-6-4-9-16(18)22(14)27;27-20-11-21(28)23(22(20)17-12-25-19-9-2-1-7-15(17)19)18-13-26-10-4-6-14-5-3-8-16(18)24(14)26;2*1-15(20-14-26-12-6-8-16-7-5-10-18(20)23(16)26)22(24(27)28-2)19-13-25-21-11-4-3-9-17(19)21;1-9(15)12-8-14-7-3-5-10-4-2-6-11(12)13(10)14;1-2-10-9-14-8-4-6-11-5-3-7-12(10)13(11)14;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9;1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;4*2-1-3;;;;/h2-4,6,8-10,12-13,20-21,25H,5,7,11H2,1H3;1-3,5,7-9,12-13,22-23,25H,4,6,10-11H2;2*3-5,7,9-11,13-14,25H,6,8,12H2,1-2H3;2,4,6,8H,3,5,7H2,1H3;3,5,7,9H,2,4,6,8H2,1H3;2-6,12H,1H3;2-5,7,12H,6H2,1H3;1-5H,6,8H2;1-4H2;;;;;2*1H3;;/q;;;;;;;;;;;;;;2*-1;;/b;;2*22-15+;;;;;;;;;;;;;;/t;22-,23-;;;;;;;;;;;;;;;;/m.1................/s1
• InChIKey: GRAUCYLGGGRFCS-BDWGENBPSA-N
• XLogP: 28.61
• TPSA: 506.99 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 30
• Rotatable Bonds: 17
• Heavy Atoms: 200
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2867.93
LogP ≤ 5	28.61
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is C1CCOC1.CC(=O)c1cn2c3c(cccc13)CCC2.CCc1cn2c3c(cccc13)CCC2.CN1C(=O)C(c2c[nH]c3ccccc23)C(c2cn3c4c(cccc24)CCC3)C1=O.COC(=O)/C(=C(\C)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)/C(=C(\C)c1cn2c3c(cccc13)CCC2)c1c[nH]c2ccccc12.COC(=O)C(=O)c1c[nH]c2ccccc12.COC(=O)Cc1c[nH]c2ccccc12.NCc1ccccc1.O=C1CC(=O)[C@@H](c2cn3c4c(cccc24)CCC3)[C@@H]1c1c[nH]c2ccccc12.O=C=O.O=C=O.O=C=O.O=C=O.[CH3-].[CH3-].[Pd].[Pd].

What is the InChIKey of 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?

The InChIKey is GRAUCYLGGGRFCS-BDWGENBPSA-N. The full InChI is InChI=1S/C24H21N3O2.C24H20N2O2.2C24H22N2O2.C13H13NO.C13H15N.C11H9NO3.C11H11NO2.C7H9N.C4H8O.4CO2.2CH3.2Pd/c1-26-23(28)20(17-12-25-19-10-3-2-8-15(17)19)21(24(26)29)18-13-27-11-5-7-14-6-4-9-16(18)22(14)27;27-20-11-21(28)23(22(20)17-12-25-19-9-2-1-7-15(17)19)18-13-26-10-4-6-14-5-3-8-16(18)24(14)26;2*1-15(20-14-26-12-6-8-16-7-5-10-18(20)23(16)26)22(24(27)28-2)19-13-25-21-11-4-3-9-17(19)21;1-9(15)12-8-14-7-3-5-10-4-2-6-11(12)13(10)14;1-2-10-9-14-8-4-6-11-5-3-7-12(10)13(11)14;1-15-11(14)10(13)8-6-12-9-5-3-2-4-7(8)9;1-14-11(13)6-8-7-12-10-5-3-2-4-9(8)10;8-6-7-4-2-1-3-5-7;1-2-4-5-3-1;4*2-1-3;;;;/h2-4,6,8-10,12-13,20-21,25H,5,7,11H2,1H3;1-3,5,7-9,12-13,22-23,25H,4,6,10-11H2;2*3-5,7,9-11,13-14,25H,6,8,12H2,1-2H3;2,4,6,8H,3,5,7H2,1H3;3,5,7,9H,2,4,6,8H2,1H3;2-6,12H,1H3;2-5,7,12H,6H2,1H3;1-5H,6,8H2;1-4H2;;;;;2*1H3;;/q;;;;;;;;;;;;;;2*-1;;/b;;2*22-15+;;;;;;;;;;;;;;/t;22-,23-;;;;;;;;;;;;;;;;/m.1................/s1.

What are the key properties of 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?

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 has a molecular weight of 2867.93 g/mol, XLogP of 28.61, 17 rotatable bonds, 7 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 159570800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).