C164H119Ir4N12O6S2Se3Si-7 — CID 162076209
5-cyclopentylpyridine-2-carboxylic acid;4-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)thieno[3,2-c]pyridine;5-(5,10-dimethyl-2H-phenazin-2-id-1-yl)furo[2,3-c]pyridine;1-(9,9-dimethyl-2H-xanthen-2-id-1-yl)isoquinoline;2-(9,9-dipyridin-4-yl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-(3H-selenanthren-3-id-2-yl)pyridine (PubChem CID 162076209) has the molecular formula C164H119Ir4N12O6S2Se3Si-7 and a molecular weight of 3451.80 g/mol. Its IUPAC name is 5-cyclopentylpyridine-2-carboxylic acid;4-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)thieno[3,2-c]pyridine;5-(5,10-dimethyl-2H-phenazin-2-id-1-yl)furo[2,3-c]pyridine;1-(9,9-dimethyl-2H-xanthen-2-id-1-yl)isoquinoline;2-(9,9-dipyridin-4-yl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-(3H-selenanthren-3-id-2-yl)pyridine.
| Compound Name | 5-cyclopentylpyridine-2-carboxylic acid;4-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)thieno[3,2-c]pyridine;5-(5,10-dimethyl-2H-phenazin-2-id-1-yl)furo[2,3-c]pyridine;1-(9,9-dimethyl-2H-xanthen-2-id-1-yl)isoquinoline;2-(9,9-dipyridin-4-yl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-(3H-selenanthren-3-id-2-yl)pyridine |
|---|---|
| PubChem CID | 162076209 |
| Molecular Formula | C164H119Ir4N12O6S2Se3Si-7 |
| Molecular Weight | 3451.80 g/mol |
| Exact Mass | 3455.46 |
| IUPAC Name | 5-cyclopentylpyridine-2-carboxylic acid;4-(10,10-dimethyl-2H-benzo[b][1,4]benzoxasilin-2-id-1-yl)thieno[3,2-c]pyridine;5-(5,10-dimethyl-2H-phenazin-2-id-1-yl)furo[2,3-c]pyridine;1-(9,9-dimethyl-2H-xanthen-2-id-1-yl)isoquinoline;2-(9,9-dipyridin-4-yl-2H-fluoren-2-id-1-yl)pyridine;tetrakis(iridium);2-[6-(4-methoxyphenyl)-3H-dibenzoselenophen-3-id-4-yl]pyridine;2-(8-methyl-3H-dibenzothiophen-3-id-4-yl)pyridine;2-(3H-selenanthren-3-id-2-yl)pyridine |
| SMILES | CC1(C)c2ccccc2Oc2cc[c-]c(-c3nccc4ccccc34)c21.CN1c2ccccc2N(C)c2c(-c3cc4ccoc4cn3)[c-]ccc21.COc1ccc(-c2cccc3c2[se]c2c(-c4ccccn4)[c-]ccc23)cc1.C[Si]1(C)c2ccccc2Oc2cc[c-]c(-c3nccc4sccc34)c21.Cc1ccc2sc3c(-c4ccccn4)[c-]ccc3c2c1.O=C(O)c1ccc(C2CCCC2)cn1.[Ir].[Ir].[Ir].[Ir].[c-]1cc2c(cc1-c1ccccn1)[Se]c1ccccc1[Se]2.[c-]1ccc2c(c1-c1ccccn1)C(c1ccncc1)(c1ccncc1)c1ccccc1-2 |
| InChI | InChI=1S/C28H18N3.C24H16NOSe.C24H18NO.C21H16N3O.C21H16NOSSi.C18H12NS.C17H10NSe2.C11H13NO2.4Ir/c1-2-9-25-22(6-1)23-7-5-8-24(26-10-3-4-15-31-26)27(23)28(25,20-11-16-29-17-12-20)21-13-18-30-19-14-21;1-26-17-13-11-16(12-14-17)18-6-4-7-19-20-8-5-9-21(24(20)27-23(18)19)22-10-2-3-15-25-22;1-24(2)19-11-5-6-12-20(19)26-21-13-7-10-18(22(21)24)23-17-9-4-3-8-16(17)14-15-25-23;1-23-17-7-3-4-8-18(17)24(2)21-15(6-5-9-19(21)23)16-12-14-10-11-25-20(14)13-22-16;1-25(2)19-9-4-3-7-16(19)23-17-8-5-6-15(21(17)25)20-14-11-13-24-18(14)10-12-22-20;1-12-8-9-17-15(11-12)13-5-4-6-14(18(13)20-17)16-7-2-3-10-19-16;1-2-7-15-14(6-1)19-16-9-8-12(11-17(16)20-15)13-5-3-4-10-18-13;13-11(14)10-6-5-9(7-12-10)8-3-1-2-4-8;;;;/h1-7,9-19H;2-8,10-15H,1H3;3-9,11-15H,1-2H3;2*3-5,7-13H,1-2H3;2-5,7-11H,1H3;1-7,9-11H;5-8H,1-4H2,(H,13,14);;;;/q7*-1;;;;; |
| InChIKey | VODPWWCKUOOVGE-UHFFFAOYSA-N |
| XLogP | 35.08 |
| TPSA | 213.51 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 192 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3451.80 |
| LogP ≤ 5 | 35.08 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 19 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'} |
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