C161H132N9O6Pt3-3 — CID 163611988
2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum (PubChem CID 163611988) has the molecular formula C161H132N9O6Pt3-3 and a molecular weight of 2874.12 g/mol. Its IUPAC name is 2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum.
| Compound Name | 2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum |
|---|---|
| PubChem CID | 163611988 |
| Molecular Formula | C161H132N9O6Pt3-3 |
| Molecular Weight | 2874.12 g/mol |
| Exact Mass | 2871.93 |
| IUPAC Name | 2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)benzene-2-id-1-yl]-1-(4-tert-butyl-2-phenylphenyl)benzimidazol-2-yl]phenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-phenylbenzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;2-[4-[3-([1]benzofuro[3,2-c]pyridin-3-yl)-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]-1-(2-phenylphenyl)benzimidazol-2-yl]-4,6-ditert-butylphenol;platinum |
| SMILES | CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6oc7ccccc7c6cn5)cc(-c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1cc(-c2nc3c(-c4[c-]c(-c5cc6oc7ccccc7c6cn5)cc(C(C)(C)c5ccccc5)c4)cccc3n2-c2ccccc2-c2ccccc2)c(O)c(C(C)(C)C)c1.CC(C)(C)c1ccc(-n2c(-c3ccccc3O)nc3c(-c4[c-]c(-c5cc6oc7ccccc7c6cn5)ccc4)cccc32)c(-c2ccccc2)c1.[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C59H52N3O2.C56H46N3O2.C46H34N3O2.3Pt/c1-57(2,3)41-33-46(55(63)48(34-41)58(4,5)6)56-61-54-44(26-19-28-51(54)62(56)50-27-17-15-24-43(50)37-20-11-9-12-21-37)38-30-39(32-42(31-38)59(7,8)40-22-13-10-14-23-40)49-35-53-47(36-60-49)45-25-16-18-29-52(45)64-53;1-55(2,3)40-31-44(53(60)46(32-40)56(4,5)6)54-58-52-42(24-17-26-49(52)59(54)48-25-15-13-22-41(48)36-20-11-8-12-21-36)38-28-37(35-18-9-7-10-19-35)29-39(30-38)47-33-51-45(34-57-47)43-23-14-16-27-50(43)61-51;1-46(2,3)32-23-24-39(36(26-32)29-13-5-4-6-14-29)49-40-20-12-19-33(44(40)48-45(49)35-18-7-9-21-41(35)50)30-15-11-16-31(25-30)38-27-43-37(28-47-38)34-17-8-10-22-42(34)51-43;;;/h9-29,31-36,63H,1-8H3;7-29,31-34,60H,1-6H3;4-24,26-28,50H,1-3H3;;;/q3*-1;;; |
| InChIKey | FDSLTXNPEPQIOU-UHFFFAOYSA-N |
| XLogP | 41.95 |
| TPSA | 192.24 Ų |
| H-Bond Donors | 3 |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 179 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2874.12 |
| LogP ≤ 5 | 41.95 |
| H-Bond Donors ≤ 5 | 3 |
| H-Bond Acceptors ≤ 10 | 15 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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