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

C187H160BrClN15O29Pd- — CID 158954931

IUPAC7-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
SMILESBrc1cccc2cc[nH]c12.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.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-].[Pd]
InChIInChI=1S/C28H25ClN2O4.2C25H22N2O4.C25H20N2O4.2C24H18N2O3.C15H15NO5.C12H11NO2.C8H6BrN.CH3.Pd/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;;/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;/q;;;;;;;;;-1;/b;;;;;;;6-5+;;;/t;2*23-,24-;;2*22-,23-;;;;;/m.10.10...../s1
InChIKeyRMYNQAMVHOREQL-KFNMWZQJSA-N
MW3303.19 g/mol
LogP33.73
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;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

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 (PubChem CID 158954931) has the molecular formula C187H160BrClN15O29Pd- and a molecular weight of 3303.19 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;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.

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;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
PubChem CID158954931
Molecular FormulaC187H160BrClN15O29Pd-
Molecular Weight3303.19 g/mol
Exact Mass3298.94
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;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
SMILESBrc1cccc2cc[nH]c12.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.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-].[Pd]
InChIInChI=1S/C28H25ClN2O4.2C25H22N2O4.C25H20N2O4.2C24H18N2O3.C15H15NO5.C12H11NO2.C8H6BrN.CH3.Pd/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;;/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;/q;;;;;;;;;-1;/b;;;;;;;6-5+;;;/t;2*23-,24-;;2*22-,23-;;;;;/m.10.10...../s1
InChIKeyRMYNQAMVHOREQL-KFNMWZQJSA-N
XLogP33.73
TPSA655.28 Ų
H-Bond Donors13
H-Bond Acceptors31
Rotatable Bonds35
Heavy Atoms234
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003303.19
LogP ≤ 533.73
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

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

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;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 with MolForge

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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;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?
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;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) 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;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.
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;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?
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;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 is Brc1cccc2cc[nH]c12.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.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-].[Pd].
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;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?
The InChIKey is RMYNQAMVHOREQL-KFNMWZQJSA-N. The full InChI is InChI=1S/C28H25ClN2O4.2C25H22N2O4.C25H20N2O4.2C24H18N2O3.C15H15NO5.C12H11NO2.C8H6BrN.CH3.Pd/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;;/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;/q;;;;;;;;;-1;/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;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?
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 has a molecular weight of 3303.19 g/mol, XLogP of 33.73, 35 rotatable bonds, 13 hydrogen bond donors, and 31 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;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 is sourced from PubChem (CID 158954931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).