C124H90F6N12O4P4Pt4 — CID 159223075
2-[3-[methyl-(5-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[methyl-(6-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 159223075) has the molecular formula C124H90F6N12O4P4Pt4 and a molecular weight of 2830.36 g/mol. Its IUPAC name is 2-[3-[methyl-(5-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[methyl-(6-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;tetrakis(platinum(2+)).
| Compound Name | 2-[3-[methyl-(5-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[methyl-(6-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) |
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| PubChem CID | 159223075 |
| Molecular Formula | C124H90F6N12O4P4Pt4 |
| Molecular Weight | 2830.36 g/mol |
| Exact Mass | 2828.47 |
| IUPAC Name | 2-[3-[methyl-(5-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[methyl-(6-methyl-2-pyridinyl)phosphoryl]benzene-2-id-1-yl]-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[3-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[methyl-[4-(trifluoromethyl)-2-pyridinyl]phosphoryl]benzene-2-id-1-yl]-1H-carbazol-1-ide;tetrakis(platinum(2+)) |
| SMILES | Cc1ccc(P(C)(=O)c2[c-]c(-c3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)nc1.Cc1ccnc(-n2c3[c-]c(-c4[c-]c(P(C)(=O)c5cc(C(F)(F)F)ccn5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(-c4[c-]c(P(C)(=O)c5cccc(C)n5)ccc4)ccc3c3ccccc32)c1.Cc1ccnc(-n2c3[c-]c(-c4[c-]c(P(C)(=O)c5ncccc5C(F)(F)F)ccc4)ccc3c3ccccc32)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/2C31H21F3N3OP.2C31H24N3OP.4Pt/c1-20-14-16-35-29(17-20)37-27-11-4-3-9-24(27)25-13-12-22(19-28(25)37)21-7-5-8-23(18-21)39(2,38)30-26(31(32,33)34)10-6-15-36-30;1-20-12-14-35-29(16-20)37-27-9-4-3-8-25(27)26-11-10-22(18-28(26)37)21-6-5-7-24(17-21)39(2,38)30-19-23(13-15-36-30)31(32,33)34;1-21-16-17-32-30(18-21)34-28-12-5-4-11-26(28)27-15-14-24(20-29(27)34)23-9-7-10-25(19-23)36(3,35)31-13-6-8-22(2)33-31;1-21-15-16-32-30(17-21)34-28-10-5-4-9-26(28)27-13-12-24(19-29(27)34)23-7-6-8-25(18-23)36(3,35)31-14-11-22(2)20-33-31;;;;/h3-17H,1-2H3;3-16,19H,1-2H3;4-18H,1-3H3;4-17,20H,1-3H3;;;;/q4*-2;4*+2 |
| InChIKey | KDHJJEQXUAIXMQ-UHFFFAOYSA-N |
| XLogP | 27.02 |
| TPSA | 191.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 16 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 154 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2830.36 |
| LogP ≤ 5 | 27.02 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 16 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'} |
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