C61H62Ge3N4OPt-2 — CID 168743754
[7-[3-[3-[2,6-bis(3-trimethylgermylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum (PubChem CID 168743754) has the molecular formula C61H62Ge3N4OPt-2 and a molecular weight of 1280.10 g/mol. Its IUPAC name is [7-[3-[3-[2,6-bis(3-trimethylgermylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum.
| Compound Name | [7-[3-[3-[2,6-bis(3-trimethylgermylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum |
|---|---|
| PubChem CID | 168743754 |
| Molecular Formula | C61H62Ge3N4OPt-2 |
| Molecular Weight | 1280.10 g/mol |
| Exact Mass | 1283.22 |
| IUPAC Name | [7-[3-[3-[2,6-bis(3-trimethylgermylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-8H-carbazol-8-id-3-yl]-trimethylgermane;platinum |
| SMILES | CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6c(-c7cccc([Ge](C)(C)C)c7)cccc6-c6cccc([Ge](C)(C)C)c6)c6ccccc65)ccc4)ccc3c3cc([Ge](C)(C)C)ccc32)c1.[Pt] |
| InChI | InChI=1S/C61H62Ge3N4O.Pt/c1-61(2,3)44-33-34-65-59(37-44)68-55-32-29-47(64(10,11)12)38-54(55)53-31-30-50(40-58(53)68)69-49-24-17-23-48(39-49)66-41-67(57-28-14-13-27-56(57)66)60-51(42-19-15-21-45(35-42)62(4,5)6)25-18-26-52(60)43-20-16-22-46(36-43)63(7,8)9;/h13-38H,1-12H3;/q-2; |
| InChIKey | OQFRQLRZYPADQY-UHFFFAOYSA-N |
| XLogP | 13.86 |
| TPSA | 35.86 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 70 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1280.10 |
| LogP ≤ 5 | 13.86 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 4 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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