C64H38N8PtS2 — CID 140661718
N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) (PubChem CID 140661718) has the molecular formula C64H38N8PtS2 and a molecular weight of 1178.28 g/mol. Its IUPAC name is N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+).
| Compound Name | N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) |
|---|---|
| PubChem CID | 140661718 |
| Molecular Formula | C64H38N8PtS2 |
| Molecular Weight | 1178.28 g/mol |
| Exact Mass | 1177.23 |
| IUPAC Name | N-[3-[5-[10-(4,6-diphenyl-1,3,5-triazin-2-yl)indolo[3,2-b]quinolin-7-yl]thieno[3,2-b]thiophen-2-yl]phenyl]-3-pyridin-2-yl-N-(3-pyridin-2-ylbenzene-2-id-1-yl)benzene-2-id-1-amine;platinum(2+) |
| SMILES | [Pt+2].[c-]1c(-c2ccccn2)cccc1N(c1[c-]c(-c2ccccn2)ccc1)c1cccc(-c2cc3sc(-c4ccc5c(c4)c4nc6ccccc6cc4n5-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)cc3s2)c1 |
| InChI | InChI=1S/C64H38N8S2.Pt/c1-3-16-41(17-4-1)62-68-63(42-18-5-2-6-19-42)70-64(69-62)72-55-31-30-47(37-51(55)61-56(72)38-45-20-7-8-29-54(45)67-61)58-40-60-59(74-58)39-57(73-60)46-23-15-26-50(36-46)71(48-24-13-21-43(34-48)52-27-9-11-32-65-52)49-25-14-22-44(35-49)53-28-10-12-33-66-53;/h1-33,36-40H;/q-2;+2 |
| InChIKey | PDGYPFARDUGBGE-UHFFFAOYSA-N |
| XLogP | 16.65 |
| TPSA | 85.51 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Heavy Atoms | 75 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1178.28 |
| LogP ≤ 5 | 16.65 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
|---|