C83H67F6N15Pt2 — CID 161442839
3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide (PubChem CID 161442839) has the molecular formula C83H67F6N15Pt2 and a molecular weight of 1778.70 g/mol. Its IUPAC name is 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide.
| Compound Name | 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide |
|---|---|
| PubChem CID | 161442839 |
| Molecular Formula | C83H67F6N15Pt2 |
| Molecular Weight | 1778.70 g/mol |
| Exact Mass | 1777.49 |
| IUPAC Name | 3,6-bis(trifluoromethyl)carbazol-9-ide;bis(1-methyl-3-[3-(1-methyl-2H-imidazo[4,5-b]pyridin-2-id-3-yl)-5-(2,4,6-trimethylphenyl)benzene-2-id-1-yl]-2H-imidazo[4,5-b]pyridin-2-ide);bis(platinum(4+));pyrido[3,4-b]indol-9-ide |
| SMILES | Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.Cc1cc(C)c(-c2cc(N3[CH-]N(C)c4cccnc43)[c-]c(N3[CH-]N(C)c4cccnc43)c2)c(C)c1.FC(F)(F)c1ccc2[n-]c3ccc(C(F)(F)F)cc3c2c1.[Pt+4].[Pt+4].c1ccc2c(c1)[n-]c1cnccc12 |
| InChI | InChI=1S/2C29H27N6.C14H6F6N.C11H7N2.2Pt/c2*1-19-12-20(2)27(21(3)13-19)22-14-23(34-17-32(4)25-8-6-10-30-28(25)34)16-24(15-22)35-18-33(5)26-9-7-11-31-29(26)35;15-13(16,17)7-1-3-11-9(5-7)10-6-8(14(18,19)20)2-4-12(10)21-11;1-2-4-10-8(3-1)9-5-6-12-7-11(9)13-10;;/h2*6-15,17-18H,1-5H3;1-6H;1-7H;;/q2*-3;2*-1;2*+4 |
| InChIKey | XRRAGDYDOCSHGQ-UHFFFAOYSA-N |
| XLogP | 19.89 |
| TPSA | 118.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 13 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 106 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1778.70 |
| LogP ≤ 5 | 19.89 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 13 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|