C220H228F2Ir5N12Si5-10 — CID 158493334
[4-(2-bicyclo[2.1.1]hexanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-cyclopentyl-5-(3,4-dimethylphenyl)-2-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;5-(3,5-difluorophenyl)-4-methyl-2-phenylpyridine;pentakis(iridium);4-methyl-2-phenyl-5-(3-phenylphenyl)pyridine;3-(4-methyl-6-phenyl-3-pyridinyl)benzonitrile;3-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-N,N-diphenylaniline (PubChem CID 158493334) has the molecular formula C220H228F2Ir5N12Si5-10 and a molecular weight of 4179.84 g/mol. Its IUPAC name is [4-(2-bicyclo[2.1.1]hexanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-cyclopentyl-5-(3,4-dimethylphenyl)-2-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;5-(3,5-difluorophenyl)-4-methyl-2-phenylpyridine;pentakis(iridium);4-methyl-2-phenyl-5-(3-phenylphenyl)pyridine;3-(4-methyl-6-phenyl-3-pyridinyl)benzonitrile;3-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-N,N-diphenylaniline.
| Compound Name | [4-(2-bicyclo[2.1.1]hexanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-cyclopentyl-5-(3,4-dimethylphenyl)-2-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;5-(3,5-difluorophenyl)-4-methyl-2-phenylpyridine;pentakis(iridium);4-methyl-2-phenyl-5-(3-phenylphenyl)pyridine;3-(4-methyl-6-phenyl-3-pyridinyl)benzonitrile;3-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-N,N-diphenylaniline |
|---|---|
| PubChem CID | 158493334 |
| Molecular Formula | C220H228F2Ir5N12Si5-10 |
| Molecular Weight | 4179.84 g/mol |
| Exact Mass | 4180.52 |
| IUPAC Name | [4-(2-bicyclo[2.1.1]hexanylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclohexylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;4-cyclopentyl-5-(3,4-dimethylphenyl)-2-phenylpyridine;[4-(1-cyclopentylethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;[4-(cyclopentylmethyl)-6-phenyl-3-pyridinyl]-trimethylsilane;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;5-(3,5-difluorophenyl)-4-methyl-2-phenylpyridine;pentakis(iridium);4-methyl-2-phenyl-5-(3-phenylphenyl)pyridine;3-(4-methyl-6-phenyl-3-pyridinyl)benzonitrile;3-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]-N,N-diphenylaniline |
| SMILES | CC(C)Cc1cc(-c2[c-]cccc2)ncc1-c1cccc(N(c2ccccc2)c2ccccc2)c1.CC(c1cc(-c2[c-]cccc2)ncc1[Si](C)(C)C)C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1C1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CC2CC1C2.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Si](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1cc(-c2[c-]cccc2)ncc1-c1cc(F)cc(F)c1.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc(-c2ccccc2)c1.Cc1cc(-c2[c-]cccc2)ncc1-c1cccc(C#N)c1.Cc1ccc(-c2cnc(-c3[c-]cccc3)cc2C2CCCC2)cc1C.[Ir].[Ir].[Ir].[Ir].[Ir] |
| InChI | InChI=1S/C33H29N2.C24H24N.C24H18N.C21H26NSi.2C21H28NSi.C20H26NSi.C19H13N2.C19H24NSi.C18H12F2N.5Ir/c1-25(2)21-28-23-33(26-13-6-3-7-14-26)34-24-32(28)27-15-12-20-31(22-27)35(29-16-8-4-9-17-29)30-18-10-5-11-19-30;1-17-12-13-21(14-18(17)2)23-16-25-24(20-10-4-3-5-11-20)15-22(23)19-8-6-7-9-19;1-18-15-24(20-11-6-3-7-12-20)25-17-23(18)22-14-8-13-21(16-22)19-9-4-2-5-10-19;1-23(2,3)21-14-22-20(16-7-5-4-6-8-16)13-19(21)12-18-11-15-9-17(18)10-15;1-16(17-10-8-9-11-17)19-14-20(18-12-6-5-7-13-18)22-15-21(19)23(2,3)4;1-23(2,3)21-16-22-20(18-12-8-5-9-13-18)15-19(21)14-17-10-6-4-7-11-17;1-22(2,3)20-15-21-19(17-11-5-4-6-12-17)14-18(20)13-16-9-7-8-10-16;1-14-10-19(16-7-3-2-4-8-16)21-13-18(14)17-9-5-6-15(11-17)12-20;1-21(2,3)19-14-20-18(16-11-5-4-6-12-16)13-17(19)15-9-7-8-10-15;1-12-7-18(13-5-3-2-4-6-13)21-11-17(12)14-8-15(19)10-16(20)9-14;;;;;/h3-13,15-20,22-25H,21H2,1-2H3;3-5,10,12-16,19H,6-9H2,1-2H3;2-11,13-17H,1H3;4-7,13-15,17-18H,9-12H2,1-3H3;5-7,12,14-17H,8-11H2,1-4H3;5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;4-6,11,14-16H,7-10,13H2,1-3H3;2-7,9-11,13H,1H3;4-6,11,13-15H,7-10H2,1-3H3;2-5,7-11H,1H3;;;;;/q10*-1;;;;; |
| InChIKey | LXQWLGJBTYYGEY-UHFFFAOYSA-N |
| XLogP | 55.62 |
| TPSA | 155.93 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 12 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 244 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4179.84 |
| LogP ≤ 5 | 55.62 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 12 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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