C180H184N16O4Pt4 — CID 158740158
2-[3-[4-(4-tert-butyl-3-methylphenyl)-3-propan-2-yl-5-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(3,3-dimethylbutyl)-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-heptyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 158740158) has the molecular formula C180H184N16O4Pt4 and a molecular weight of 3415.87 g/mol. Its IUPAC name is 2-[3-[4-(4-tert-butyl-3-methylphenyl)-3-propan-2-yl-5-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(3,3-dimethylbutyl)-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-heptyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)).
| Compound Name | 2-[3-[4-(4-tert-butyl-3-methylphenyl)-3-propan-2-yl-5-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(3,3-dimethylbutyl)-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-heptyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) |
|---|---|
| PubChem CID | 158740158 |
| Molecular Formula | C180H184N16O4Pt4 |
| Molecular Weight | 3415.87 g/mol |
| Exact Mass | 3413.33 |
| IUPAC Name | 2-[3-[4-(4-tert-butyl-3-methylphenyl)-3-propan-2-yl-5-propylpyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-(3,3-dimethylbutyl)-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-heptyl-3-propyl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-hexyl-3-propan-2-yl-4-(4-propylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;tetrakis(platinum(2+)) |
| SMILES | CCCCCCCc1c(-c2ccc(CCC)cc2)c(CCC)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCCCCc1c(-c2ccc(CCC)cc2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCc1c(-c2ccc(C(C)(C)C)c(C)c2)c(C(C)C)nn1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C)ccn2)ccc1.CCCc1ccc(-c2c(C(C)C)nn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2CCC(C)(C)C)cc1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C46H48N4O.2C45H46N4O.C44H44N4O.4Pt/c1-5-8-9-10-11-21-43-46(35-24-22-34(15-6-2)23-25-35)41(16-7-3)48-50(43)36-17-14-18-37(31-36)51-38-26-27-40-39-19-12-13-20-42(39)49(44(40)32-38)45-30-33(4)28-29-47-45;1-8-12-32-17-19-33(20-18-32)43-40(23-25-45(5,6)7)49(47-44(43)30(2)3)34-13-11-14-35(28-34)50-36-21-22-38-37-15-9-10-16-39(37)48(41(38)29-36)42-27-31(4)24-26-46-42;1-6-8-9-10-19-41-44(34-22-20-33(14-7-2)21-23-34)45(31(3)4)47-49(41)35-15-13-16-36(29-35)50-37-24-25-39-38-17-11-12-18-40(38)48(42(39)30-37)43-28-32(5)26-27-46-43;1-9-13-39-42(31-18-21-37(30(5)25-31)44(6,7)8)43(28(2)3)46-48(39)32-14-12-15-33(26-32)49-34-19-20-36-35-16-10-11-17-38(35)47(40(36)27-34)41-24-29(4)22-23-45-41;;;;/h12-14,17-20,22-30H,5-11,15-16,21H2,1-4H3;9-11,13-22,24,26-27,30H,8,12,23,25H2,1-7H3;11-13,15-18,20-28,31H,6-10,14,19H2,1-5H3;10-12,14-25,28H,9,13H2,1-8H3;;;;/q4*-2;4*+2 |
| InChIKey | XCKZYHTVORWAHL-UHFFFAOYSA-N |
| XLogP | 47.27 |
| TPSA | 179.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 46 |
| Heavy Atoms | 204 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3415.87 |
| LogP ≤ 5 | 47.27 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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