C399H397Ge8Ir8N21O8S2-16 — CID 163988650
CID 163988650 (PubChem CID 163988650) has the molecular formula C399H397Ge8Ir8N21O8S2-16 and a molecular weight of 7797.45 g/mol.
| Compound Name | CID 163988650 |
|---|---|
| PubChem CID | 163988650 |
| Molecular Formula | C399H397Ge8Ir8N21O8S2-16 |
| Molecular Weight | 7797.45 g/mol |
| Exact Mass | 7809.16 |
| IUPAC Name | — |
| SMILES | CC(C)(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.CC(C)c1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.CC(C)c1cnc(-c2[c-]c3c(nc2)oc2c(-c4ccccc4)cccc23)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cc3ccccc3c2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]ccc3c2sc2ccccc23)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.C[Ge](C)(C)c1cnc(-c2[c-]cccc2)cc1CC1CCCCC1.Cc1cc(-c2[c-]c3c(cc2)oc2nc(-c4c(C)cccc4C)ccc23)ncc1CC1CCCC1.Cc1ccnc(-c2[c-]ccc3c2oc2cc(-c4ccccc4)ccc23)c1.Cc1cnc(-c2[c-]c3c(nc2)oc2c(-c4cccc5c4sc4ccccc45)cccc23)cc1CC(C)(C)C.[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[Ir].[c-]1c(-c2nccc3c2CCCC3)cnc2oc3nc(-c4cccc5ccccc45)ccc3c12.[c-]1ccc2c(oc3cc(-c4ccccc4)ccc32)c1-c1ccccn1 |
| InChI | InChI=1S/C34H27N2OS.2C31H29N2O.C29H20N3O.C27H22NO.C26H28GeNS.C26H20NO.C24H28GeN.C24H16NO.C23H14NO.4C21H28GeN.2C20H26GeN.8Ir/c1-20-18-35-29(16-21(20)17-34(2,3)4)22-15-28-25-11-7-10-24(31(25)37-33(28)36-19-22)27-13-8-12-26-23-9-5-6-14-30(23)38-32(26)27;1-19-7-6-8-20(2)30(19)27-13-12-25-26-17-23(11-14-29(26)34-31(25)33-27)28-15-21(3)24(18-32-28)16-22-9-4-5-10-22;1-20(2)28-19-32-29(17-23(28)15-21-9-6-7-10-21)24-16-27-26-14-8-13-25(22-11-4-3-5-12-22)30(26)34-31(27)33-18-24;1-3-9-21-18(6-1)8-5-11-23(21)26-13-12-24-25-16-20(17-31-28(25)33-29(24)32-26)27-22-10-4-2-7-19(22)14-15-30-27;1-27(2,3)20-14-15-28-24(17-20)23-11-7-10-22-21-13-12-19(16-25(21)29-26(22)23)18-8-5-4-6-9-18;1-27(2,3)23-17-28-24(16-19(23)15-18-9-4-5-10-18)22-13-8-12-21-20-11-6-7-14-25(20)29-26(21)22;1-17(2)19-13-14-27-24(15-19)23-10-6-9-22-21-12-11-20(16-25(21)28-26(22)23)18-7-4-3-5-8-18;1-25(2,3)23-17-26-24(16-22(23)14-18-8-4-5-9-18)21-13-12-19-10-6-7-11-20(19)15-21;1-16-12-13-25-22(14-16)21-9-5-8-20-19-11-10-18(15-23(19)26-24(20)21)17-6-3-2-4-7-17;1-2-7-16(8-3-1)17-12-13-18-19-9-6-10-20(21-11-4-5-14-24-21)23(19)25-22(18)15-17;4*1-22(2,3)20-16-23-21(18-12-8-5-9-13-18)15-19(20)14-17-10-6-4-7-11-17;2*1-21(2,3)19-15-22-20(17-11-5-4-6-12-17)14-18(19)13-16-9-7-8-10-16;;;;;;;;/h5-14,16,18-19H,17H2,1-4H3;6-8,11-15,18,22H,4-5,9-10,16H2,1-3H3;3-5,8,11-14,17-21H,6-7,9-10,15H2,1-2H3;1,3,5-6,8-9,11-15,17H,2,4,7,10H2;4-10,12-17H,1-3H3;6-8,11-12,14,16-18H,4-5,9-10,15H2,1-3H3;3-9,11-17H,1-2H3;6-7,10-12,15-18H,4-5,8-9,14H2,1-3H3;2-8,10-15H,1H3;1-9,11-15H;4*5,8-9,12,15-17H,4,6-7,10-11,14H2,1-3H3;2*4-6,11,14-16H,7-10,13H2,1-3H3;;;;;;;;/q16*-1;;;;;;;; |
| InChIKey | ZQHAHUVYWGMOAP-UHFFFAOYSA-N |
| XLogP | 104.11 |
| TPSA | 375.81 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 31 |
| Rotatable Bonds | 55 |
| Heavy Atoms | 446 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 7797.45 |
| LogP ≤ 5 | 104.11 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 31 |