C88H76N3O2Pt- — CID 171734311
2-[4-[4-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-3H-dibenzofuran-3-id-2-yl]-1-(2,6-dimethylphenyl)-5-(2,6-diphenylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum (PubChem CID 171734311) has the molecular formula C88H76N3O2Pt- and a molecular weight of 1402.67 g/mol. Its IUPAC name is 2-[4-[4-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-3H-dibenzofuran-3-id-2-yl]-1-(2,6-dimethylphenyl)-5-(2,6-diphenylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum.
| Compound Name | 2-[4-[4-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-3H-dibenzofuran-3-id-2-yl]-1-(2,6-dimethylphenyl)-5-(2,6-diphenylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum |
|---|---|
| PubChem CID | 171734311 |
| Molecular Formula | C88H76N3O2Pt- |
| Molecular Weight | 1402.67 g/mol |
| Exact Mass | 1401.56 |
| IUPAC Name | 2-[4-[4-[2,6-bis[3,5-di(propan-2-yl)phenyl]phenyl]-3H-dibenzofuran-3-id-2-yl]-1-(2,6-dimethylphenyl)-5-(2,6-diphenylphenyl)benzimidazol-2-yl]-5,6-dihydrobenzo[h]quinolin-10-ol;platinum |
| SMILES | Cc1cccc(C)c1-n1c(-c2ccc3c(n2)-c2c(O)cccc2CC3)nc2c(-c3[c-]c(-c4c(-c5cc(C(C)C)cc(C(C)C)c5)cccc4-c4cc(C(C)C)cc(C(C)C)c4)c4oc5ccccc5c4c3)c(-c3c(-c4ccccc4)cccc3-c3ccccc3)ccc21.[Pt] |
| InChI | InChI=1S/C88H76N3O2.Pt/c1-51(2)61-43-62(52(3)4)46-65(45-61)70-33-22-34-71(66-47-63(53(5)6)44-64(48-66)54(7)8)83(70)75-50-67(49-74-72-30-17-18-36-79(72)93-87(74)75)80-73(82-68(57-25-13-11-14-26-57)31-21-32-69(82)58-27-15-12-16-28-58)40-42-77-85(80)90-88(91(77)86-55(9)23-19-24-56(86)10)76-41-39-60-38-37-59-29-20-35-78(92)81(59)84(60)89-76;/h11-36,39-49,51-54,92H,37-38H2,1-10H3;/q-1; |
| InChIKey | ITORDZFFBKVGSI-UHFFFAOYSA-N |
| XLogP | 24.04 |
| TPSA | 64.08 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Heavy Atoms | 94 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1402.67 |
| LogP ≤ 5 | 24.04 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 5 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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