C277H194F12N21O4Pt6-3 — CID 161431976
bis(3,6-dimethyl-9-[2-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]carbazole);bis(2,7-diphenyl-9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);bis(4-hydroxypent-3-en-2-one);bis(9-[2-(1-methyl-3H-indol-3-id-2-yl)-3-pyridinyl]carbazole);9-(2-phenyl-3-pyridinyl)carbazole;3-phenyl-2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenyl-3-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;platinum;tris(platinum(2+));9-(2-pyridin-2-yl-3-pyridinyl)carbazole (PubChem CID 161431976) has the molecular formula C277H194F12N21O4Pt6-3 and a molecular weight of 5279.19 g/mol. Its IUPAC name is bis(3,6-dimethyl-9-[2-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]carbazole);bis(2,7-diphenyl-9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);bis(4-hydroxypent-3-en-2-one);bis(9-[2-(1-methyl-3H-indol-3-id-2-yl)-3-pyridinyl]carbazole);9-(2-phenyl-3-pyridinyl)carbazole;3-phenyl-2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenyl-3-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;platinum;tris(platinum(2+));9-(2-pyridin-2-yl-3-pyridinyl)carbazole.
| Compound Name | bis(3,6-dimethyl-9-[2-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]carbazole);bis(2,7-diphenyl-9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);bis(4-hydroxypent-3-en-2-one);bis(9-[2-(1-methyl-3H-indol-3-id-2-yl)-3-pyridinyl]carbazole);9-(2-phenyl-3-pyridinyl)carbazole;3-phenyl-2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenyl-3-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;platinum;tris(platinum(2+));9-(2-pyridin-2-yl-3-pyridinyl)carbazole |
|---|---|
| PubChem CID | 161431976 |
| Molecular Formula | C277H194F12N21O4Pt6-3 |
| Molecular Weight | 5279.19 g/mol |
| Exact Mass | 5275.33 |
| IUPAC Name | bis(3,6-dimethyl-9-[2-(4-phenylbenzene-6-id-1-yl)-3-pyridinyl]carbazole);bis(2,7-diphenyl-9-(2-pyridin-2-ylbenzene-3-id-1-yl)carbazole);bis(4-hydroxypent-3-en-2-one);bis(9-[2-(1-methyl-3H-indol-3-id-2-yl)-3-pyridinyl]carbazole);9-(2-phenyl-3-pyridinyl)carbazole;3-phenyl-2-[2-(trifluoromethyl)benzene-6-id-1-yl]pyridine;2-phenyl-3-[2,4,6-tris(trifluoromethyl)phenyl]pyridine;platinum;tris(platinum(2+));9-(2-pyridin-2-yl-3-pyridinyl)carbazole |
| SMILES | CC(=O)C=C(C)O.CC(=O)C=C(C)O.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccnc1-c1[c-]cc(-c2ccccc2)cc1.Cc1ccc2c(c1)c1cc(C)ccc1n2-c1cccnc1-c1[c-]cc(-c2ccccc2)cc1.Cn1c(-c2ncccc2-n2c3ccccc3c3ccccc32)[c-]c2ccccc21.Cn1c(-c2ncccc2-n2c3ccccc3c3ccccc32)[c-]c2ccccc21.FC(F)(F)c1cc(C(F)(F)F)c(-c2cccnc2-c2[c-]cccc2)c(C(F)(F)F)c1.FC(F)(F)c1ccc[c-]c1-c1ncccc1-c1ccccc1.[Pt+2].[Pt+2].[Pt+2].[Pt].[Pt].[Pt].[c-]1cccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1-c1ccccn1.[c-]1cccc(-n2c3cc(-c4ccccc4)ccc3c3ccc(-c4ccccc4)cc32)c1-c1ccccn1.[c-]1ccccc1-c1ncccc1-n1c2ccccc2c2ccccc21.c1ccc(-c2ncccc2-n2c3ccccc3c3ccccc32)nc1 |
| InChI | InChI=1S/2C35H23N2.2C31H23N2.2C26H18N3.C23H15N2.C22H15N3.C20H9F9N.C18H11F3N.2C5H8O2.6Pt/c2*1-3-11-25(12-4-1)27-18-20-29-30-21-19-28(26-13-5-2-6-14-26)24-35(30)37(34(29)23-27)33-17-8-7-15-31(33)32-16-9-10-22-36-32;2*1-21-10-16-28-26(19-21)27-20-22(2)11-17-29(27)33(28)30-9-6-18-32-31(30)25-14-12-24(13-15-25)23-7-4-3-5-8-23;2*1-28-21-12-5-2-9-18(21)17-25(28)26-24(15-8-16-27-26)29-22-13-6-3-10-19(22)20-11-4-7-14-23(20)29;1-2-9-17(10-3-1)23-22(15-8-16-24-23)25-20-13-6-4-11-18(20)19-12-5-7-14-21(19)25;1-3-11-19-16(8-1)17-9-2-4-12-20(17)25(19)21-13-7-15-24-22(21)18-10-5-6-14-23-18;21-18(22,23)12-9-14(19(24,25)26)16(15(10-12)20(27,28)29)13-7-4-8-30-17(13)11-5-2-1-3-6-11;19-18(20,21)16-11-5-4-9-15(16)17-14(10-6-12-22-17)13-7-2-1-3-8-13;2*1-4(6)3-5(2)7;;;;;;/h2*1-14,16-24H;2*3-14,16-20H,1-2H3;2*2-16H,1H3;1-9,11-16H;1-15H;1-5,7-10H;1-8,10-12H;2*3,6H,1-2H3;;;;;;/q7*-1;;2*-1;;;;;;3*+2 |
| InChIKey | XLRLLRMUFHCDHK-UHFFFAOYSA-N |
| XLogP | 71.55 |
| TPSA | 265.69 Ų |
| H-Bond Donors | 2 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 320 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5279.19 |
| LogP ≤ 5 | 71.55 |
| H-Bond Donors ≤ 5 | 2 |
| H-Bond Acceptors ≤ 10 | 25 |