bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine

C172H162Cu2Ir2N16O4PS-7 — CID 161002996

About bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine

bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine (PubChem CID 161002996) has the molecular formula C172H162Cu2Ir2N16O4PS-7 and a molecular weight of 3091.86 g/mol. Its IUPAC name is bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine.

Molecular Properties

• Compound Name: bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine
• PubChem CID: 161002996
• Molecular Formula: C172H162Cu2Ir2N16O4PS-7
• Molecular Weight: 3091.86 g/mol
• Exact Mass: 3090.03
• IUPAC Name: bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine
• SMILES: C1=C(c2c(C3CCCCC3)cccc2C2CCCCC2)C2C3=[N+]1Cc1cccc(c13)-c1ccccc12.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu].[Cu].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12
• InChI: InChI=1S/C35H36N.C23H20N4.C21H23N2.C17H14N2O.C17H10NO.C17H20NP.C14H12N.C12H7N2S.C11H12N2.C5H8O2.2Cu.2Ir/c1-3-11-23(12-4-1)26-18-10-19-27(24-13-5-2-6-14-24)33(26)31-22-36-21-25-15-9-20-29-28-16-7-8-17-30(28)34(31)35(36)32(25)29;1-24-14-8-3-5-10-16(14)26-18-12-7-13-19-20(18)21(22(24)26)23-25(2)15-9-4-6-11-17(15)27(19)23;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;1-4(6)3-5(2)7;;;;/h7-10,15-20,22-24,34H,1-6,11-14,21H2;3-13,21-23H,1-2H3;5-9,11-16H,1-4H3;2-9,15H,10H2,1H3;1-7,9-11H;4-11,13,19H,3,12H2,1-2H3;3-10H,1-2H2;1-4,6-8H;2-7,11H,8H2,1H3;3,6H,1-2H3;;;;/q+1;;-1;;-1;-2;-3;-1
• InChIKey: OCZQVUCAIKAIJQ-UHFFFAOYSA-N
• XLogP: 42.80
• TPSA: 177.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 18
• Rotatable Bonds: 17
• Heavy Atoms: 198
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3091.86
LogP ≤ 5	42.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine?

The IUPAC name of bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine (CID 161002996) is bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine.

What is the SMILES notation for bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine?

The canonical SMILES for bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine is C1=C(c2c(C3CCCCC3)cccc2C2CCCCC2)C2C3=[N+]1Cc1cccc(c13)-c1ccccc12.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1C=CN2c3c(ccc4c3oc3ccccc34)CC12.CN1C=CN2c3ccccc3CC12.CN1c2ccccc2N2c3cccc4c3C(C12)C1N(C)c2ccccc2N41.[CH2-]c1ccccc1[N-]c1ccccc1PCC(C)C.[CH2-]c1ccccc1[N-]c1ccccc1[CH2-].[Cu].[Cu].[Ir].[Ir].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1ccccc1-c1ncnc2sccc12.

What is the InChIKey of bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine?

The InChIKey is OCZQVUCAIKAIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H36N.C23H20N4.C21H23N2.C17H14N2O.C17H10NO.C17H20NP.C14H12N.C12H7N2S.C11H12N2.C5H8O2.2Cu.2Ir/c1-3-11-23(12-4-1)26-18-10-19-27(24-13-5-2-6-14-24)33(26)31-22-36-21-25-15-9-20-29-28-16-7-8-17-30(28)34(31)35(36)32(25)29;1-24-14-8-3-5-10-16(14)26-18-12-7-13-19-20(18)21(22(24)26)23-25(2)15-9-4-6-11-17(15)27(19)23;1-15(2)18-11-8-12-19(16(3)4)20(18)23-14-13-22-21(23)17-9-6-5-7-10-17;1-18-8-9-19-15(18)10-11-6-7-13-12-4-2-3-5-14(12)20-17(13)16(11)19;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-13(2)12-19-17-11-7-6-10-16(17)18-15-9-5-4-8-14(15)3;1-11-7-3-5-9-13(11)15-14-10-6-4-8-12(14)2;1-2-4-9(5-3-1)11-10-6-7-15-12(10)14-8-13-11;1-12-6-7-13-10-5-3-2-4-9(10)8-11(12)13;1-4(6)3-5(2)7;;;;/h7-10,15-20,22-24,34H,1-6,11-14,21H2;3-13,21-23H,1-2H3;5-9,11-16H,1-4H3;2-9,15H,10H2,1H3;1-7,9-11H;4-11,13,19H,3,12H2,1-2H3;3-10H,1-2H2;1-4,6-8H;2-7,11H,8H2,1H3;3,6H,1-2H3;;;;/q+1;;-1;;-1;-2;-3;-1;;;;;;.

What are the key properties of bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine?

bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine has a molecular weight of 3091.86 g/mol, XLogP of 42.80, 17 rotatable bonds, 1 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for bis(2-methanidylphenyl)azanide;copper;2-(3H-dibenzofuran-3-id-4-yl)pyridine;3-(2,6-dicyclohexylphenyl)-1-azoniapentacyclo[13.2.1.04,17.05,10.011,16]octadeca-1(17),2,5,7,9,11,13,15-octaene;3,23-dimethyl-3,10,16,23-tetrazaheptacyclo[13.9.1.02,10.04,9.011,25.016,24.017,22]pentacosa-4,6,8,11(25),12,14,17,19,21-nonaene;1-[2,6-di(propan-2-yl)phenyl]-2-phenylimidazole;4-hydroxypent-3-en-2-one;bis(iridium);(2-methanidylphenyl)-[2-(2-methylpropylphosphanyl)phenyl]azanide;3-methyl-3a,4-dihydroimidazo[1,2-a]indole;6-methyl-19-oxa-3,6-diazapentacyclo[10.7.0.02,9.03,7.013,18]nonadeca-1(12),2(9),4,10,13,15,17-heptaene;4-phenylthieno[2,3-d]pyrimidine is sourced from PubChem (CID 161002996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).