C187H224GeIr4N4O12Si-4 — CID 161163515
1-cyclopentyl-4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-1-(2-methylpropyl)-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium (PubChem CID 161163515) has the molecular formula C187H224GeIr4N4O12Si-4 and a molecular weight of 3589.43 g/mol. Its IUPAC name is 1-cyclopentyl-4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-1-(2-methylpropyl)-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium.
| Compound Name | 1-cyclopentyl-4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-1-(2-methylpropyl)-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium |
|---|---|
| PubChem CID | 161163515 |
| Molecular Formula | C187H224GeIr4N4O12Si-4 |
| Molecular Weight | 3589.43 g/mol |
| Exact Mass | 3591.46 |
| IUPAC Name | 1-cyclopentyl-4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium;tetrakis(3,7-diethyl-6-hydroxynon-5-en-4-one);tetrakis(iridium);[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylgermane;[4-methanidyl-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium-1-yl]-trimethylsilane;4-methanidyl-1-(2-methylpropyl)-3-[2-(2-methylpropyl)-3H-dibenzofuran-3-id-4-yl]benzo[f]quinolin-4-ium |
| SMILES | CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.CCC(CC)C(=O)C=C(O)C(CC)CC.[CH2-][n+]1c(-c2[c-]c(CC(C)C)cc3c2oc2ccccc23)cc(C2CCCC2)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(CC(C)C)cc3c2oc2ccccc23)cc(CC(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(CC(C)C)cc3c2oc2ccccc23)cc([Ge](C)(C)C)c2c3ccccc3ccc21.[CH2-][n+]1c(-c2[c-]c(CC(C)C)cc3c2oc2ccccc23)cc([Si](C)(C)C)c2c3ccccc3ccc21.[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C35H32NO.C34H32NO.C33H32GeNO.C33H32NOSi.4C13H24O2.4Ir/c1-22(2)18-23-19-29-27-14-8-9-15-33(27)37-35(29)30(20-23)32-21-28(24-10-4-5-11-24)34-26-13-7-6-12-25(26)16-17-31(34)36(32)3;1-21(2)16-23-18-28-27-12-8-9-13-32(27)36-34(28)29(19-23)31-20-25(17-22(3)4)33-26-11-7-6-10-24(26)14-15-30(33)35(31)5;1-21(2)17-22-18-26-25-13-9-10-14-31(25)36-33(26)27(19-22)30-20-28(34(3,4)5)32-24-12-8-7-11-23(24)15-16-29(32)35(30)6;1-21(2)17-22-18-26-25-13-9-10-14-30(25)35-33(26)27(19-22)29-20-31(36(4,5)6)32-24-12-8-7-11-23(24)15-16-28(32)34(29)3;4*1-5-10(6-2)12(14)9-13(15)11(7-3)8-4;;;;/h6-9,12-17,19,21-22,24H,3-5,10-11,18H2,1-2H3;6-15,18,20-22H,5,16-17H2,1-4H3;7-16,18,20-21H,6,17H2,1-5H3;7-16,18,20-21H,3,17H2,1-2,4-6H3;4*9-11,14H,5-8H2,1-4H3;;;;/q4*-1;;;;;;;; |
| InChIKey | ZXXMSHIMTFPTIG-UHFFFAOYSA-N |
| XLogP | 49.36 |
| TPSA | 217.28 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 45 |
| Heavy Atoms | 209 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3589.43 |
| LogP ≤ 5 | 49.36 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'} |
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