C382H328F2Ir12N27O7PtSSi2-15 — CID 159844594
CID 159844594 (PubChem CID 159844594) has the molecular formula C382H328F2Ir12N27O7PtSSi2-15 and a molecular weight of 8039.94 g/mol.
| Compound Name | CID 159844594 |
|---|---|
| PubChem CID | 159844594 |
| Molecular Formula | C382H328F2Ir12N27O7PtSSi2-15 |
| Molecular Weight | 8039.94 g/mol |
| Exact Mass | 8044.08 |
| IUPAC Name | — |
| SMILES | C.C.CC(=O)C=C(C)O.CC(=O)C=C(C)O.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CC(C)c1cccc(C(C)C)c1-n1ccnc1-c1[c-]cccc1.CN1[CH-]N2c3c1cccc3C(C)(C)c1cccc3oc4cccc2c4c13.C[Si](C)(C)c1ccc(-c2[c-]ccc([Si](C)(C)C)c2)nc1.Cc1[c-]c(-c2ccc3cc(F)c(C)cc3n2)cc(C)c1.Cc1[c-]c(-c2ccccn2)c(C)cc1.Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1cc(-c2nccc3ccccc23)[c-]cc1F.Cc1ccc(C)cc1.Cc1ccccc1C1=C(c2ccccc2C)N(c2ccccc2)[CH-]N1c1[c-]cccc1.Cc1ccnc(-c2[c-]ccc3c2oc2ccccc23)c1.[2H]C([2H])([2H])c1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[CH3-].[Ir+3].[Ir+3].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Pt+2].[c-]1ccc2c(oc3ccccc32)c1-c1ccccn1.[c-]1cccc2sc3ccc[c-]c3c12.[c-]1ccccc1-c1cc2c(cn1)[nH]c1cc3c(cc12)c1ccccc1n3-c1ccccc1.[c-]1ccccc1-c1ccc2c(n1)C1c3nc(-c4[c-]cccc4)ccc3Cc3cccc([n+]31)C2.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.c1ccccc1 |
| InChI | InChI=1S/C30H20N3.C29H18N3.C29H24N2.C23H19N2O.2C21H23N2.C18H15FN.C18H12NO.2C18H14N.C17H10NO.C17H24NSi2.C16H11FN.C13H12N.C12H6S.5C11H8N.C8H10.C6H6.2C5H8O2.2CH4.CH3.12Ir.Pt/c1-3-8-20(9-4-1)26-16-14-22-18-24-12-7-13-25-19-23-15-17-27(21-10-5-2-6-11-21)32-29(23)30(33(24)25)28(22)31-26;1-3-9-19(10-4-1)25-16-23-22-15-24-21-13-7-8-14-28(21)32(20-11-5-2-6-12-20)29(24)17-26(22)31-27(23)18-30-25;1-22-13-9-11-19-26(22)28-29(27-20-12-10-14-23(27)2)31(25-17-7-4-8-18-25)21-30(28)24-15-5-3-6-16-24;1-23(2)14-7-5-11-18-20(14)21-16(9-6-12-19(21)26-18)25-13-24(3)17-10-4-8-15(23)22(17)25;2*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;1-11-6-12(2)8-15(7-11)17-5-4-14-10-16(19)13(3)9-18(14)20-17;1-12-9-10-19-16(11-12)15-7-4-6-14-13-5-2-3-8-17(13)20-18(14)15;2*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-10-16-12(6-1)13-7-5-8-14(17(13)19-16)15-9-3-4-11-18-15;1-19(2,3)15-9-7-8-14(12-15)17-11-10-16(13-18-17)20(4,5)6;1-11-10-13(6-7-15(11)17)16-14-5-3-2-4-12(14)8-9-18-16;1-10-6-7-11(2)12(9-10)13-5-3-4-8-14-13;1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11;5*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;2*1-4(6)3-5(2)7;;;;;;;;;;;;;;;;/h1-8,10,12-17,30H,18-19H2;1-9,11-18,31H;3-17,19-21H,1-2H3;4-13H,1-3H3;2*5-9,11-16H,1-4H3;4-7,9-10H,1-3H3;2-6,8-11H,1H3;2*2-10,12-13H,1H3;1-7,9-11H;7,9-13H,1-6H3;2-5,7-10H,1H3;3-8H,1-2H3;1-4,7-8H;5*1-6,8-9H;3-6H,1-2H3;1-6H;2*3,6H,1-2H3;2*1H4;1H3;;;;;;;;;;;;;/q2*-1;-2;11*-1;-2;5*-1;;;;;;;-1;;;;;;;;;;;2*+3;+2/i;;;;;;;;1D3;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;; |
| InChIKey | FLSRUOKJKWSXFB-YPKXXZDCSA-N |
| XLogP | 94.73 |
| TPSA | 393.46 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 434 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 8039.94 |
| LogP ≤ 5 | 94.73 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 33 |