C63H45N3Pt-2 — CID 155614279
4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum (PubChem CID 155614279) has the molecular formula C63H45N3Pt-2 and a molecular weight of 1039.15 g/mol. Its IUPAC name is 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum.
| Compound Name | 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum |
|---|---|
| PubChem CID | 155614279 |
| Molecular Formula | C63H45N3Pt-2 |
| Molecular Weight | 1039.15 g/mol |
| Exact Mass | 1038.33 |
| IUPAC Name | 4-methyl-2-[9-[3-[9-[3-[9-(3,4,5-trimethyl-2H-imidazol-3-ium-2-id-1-yl)fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]benzene-2-id-1-yl]fluoren-9-yl]pyridine;platinum |
| SMILES | Cc1ccnc(C2(c3[c-]c(C4(c5[c-]c(C6(n7[c-][n+](C)c(C)c7C)c7ccccc7-c7ccccc76)ccc5)c5ccccc5-c5ccccc54)ccc3)c3ccccc3-c3ccccc32)c1.[Pt] |
| InChI | InChI=1S/C63H45N3.Pt/c1-41-35-36-64-60(37-41)62(56-31-13-7-25-50(56)51-26-8-14-32-57(51)62)46-21-17-19-44(38-46)61(54-29-11-5-23-48(54)49-24-6-12-30-55(49)61)45-20-18-22-47(39-45)63(66-40-65(4)42(2)43(66)3)58-33-15-9-27-52(58)53-28-10-16-34-59(53)63;/h5-37H,1-4H3;/q-2; |
| InChIKey | ZWACTBSTQYIZFQ-UHFFFAOYSA-N |
| XLogP | 12.58 |
| TPSA | 21.70 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Heavy Atoms | 67 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1039.15 |
| LogP ≤ 5 | 12.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 2 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'} |
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