C110H128BrN21O3Pt — CID 158429178
[(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-imino-2-methylpent-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-3-imino-2-methylpent-1-enyl]azanide;1-(6-bromo-2-pyridinyl)-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-1-imino-2-methylpent-2-en-3-amine;platinum(2+) (PubChem CID 158429178) has the molecular formula C110H128BrN21O3Pt and a molecular weight of 2067.36 g/mol. Its IUPAC name is [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-imino-2-methylpent-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-3-imino-2-methylpent-1-enyl]azanide;1-(6-bromo-2-pyridinyl)-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-1-imino-2-methylpent-2-en-3-amine;platinum(2+).
| Compound Name | [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-imino-2-methylpent-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-3-imino-2-methylpent-1-enyl]azanide;1-(6-bromo-2-pyridinyl)-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-1-imino-2-methylpent-2-en-3-amine;platinum(2+) |
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| PubChem CID | 158429178 |
| Molecular Formula | C110H128BrN21O3Pt |
| Molecular Weight | 2067.36 g/mol |
| Exact Mass | 2064.93 |
| IUPAC Name | [(Z)-1-[6-[3-[6-[(Z)-1-azanidyl-3-imino-2-methylpent-1-enyl]-2-pyridinyl]phenyl]-2-pyridinyl]-3-imino-2-methylpent-1-enyl]azanide;1-(6-bromo-2-pyridinyl)-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-[5-ethyl-4-methyl-2-(oxan-2-yl)pyrazol-3-yl]-2-pyridinyl]phenyl]-2-pyridinyl]-2-methyl-1-(oxan-2-ylimino)pent-2-en-3-amine;1-[6-[3-[6-(5-ethyl-4-methyl-1H-pyrazol-3-yl)-2-pyridinyl]phenyl]-2-pyridinyl]-1-imino-2-methylpent-2-en-3-amine;platinum(2+) |
| SMILES | CCC(N)=C(C)C(=NC1CCCCO1)c1cccc(-c2cccc(-c3cccc(-c4c(C)c(CC)nn4C4CCCCO4)n3)c2)n1.CCC(N)=C(C)C(=NC1CCCCO1)c1cccc(Br)n1.[H]/N=C(CC)\C(C)=C(/[NH-])c1cccc(-c2cccc(-c3cccc(/C([NH-])=C(C)/C(CC)=N/[H])n3)c2)n1.[H]/N=C(\C(C)=C(N)CC)c1cccc(-c2cccc(-c3cccc(-c4n[nH]c(CC)c4C)n3)c2)n1.[Pt+2] |
| InChI | InChI=1S/C38H46N6O2.2C28H30N6.C16H22BrN3O.Pt/c1-5-29(39)25(3)37(42-35-20-7-9-22-45-35)33-18-12-16-31(40-33)27-14-11-15-28(24-27)32-17-13-19-34(41-32)38-26(4)30(6-2)43-44(38)36-21-8-10-23-46-36;1-5-21(29)17(3)27(30)25-14-8-12-23(31-25)19-10-7-11-20(16-19)24-13-9-15-26(32-24)28-18(4)22(6-2)33-34-28;1-5-21(29)17(3)27(31)25-14-8-12-23(33-25)19-10-7-11-20(16-19)24-13-9-15-26(34-24)28(32)18(4)22(30)6-2;1-3-12(18)11(2)16(13-7-6-8-14(17)19-13)20-15-9-4-5-10-21-15;/h11-19,24,35-36H,5-10,20-23,39H2,1-4H3;7-16,30H,5-6,29H2,1-4H3,(H,33,34);7-16,29-32H,5-6H2,1-4H3;6-8,15H,3-5,9-10,18H2,1-2H3;/q;;-2;;+2/b;21-17?,30-27+;27-17-,28-18-,29-21-,30-22+;; |
| InChIKey | POIPWEWOEMNUJS-AGCIXXTISA-N |
| XLogP | 26.32 |
| TPSA | 386.35 Ų |
| H-Bond Donors | 7 |
| H-Bond Acceptors | 21 |
| Rotatable Bonds | 28 |
| Heavy Atoms | 136 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2067.36 |
| LogP ≤ 5 | 26.32 |
| H-Bond Donors ≤ 5 | 7 |
| H-Bond Acceptors ≤ 10 | 21 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
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