C192H208N16O4Pt4 — CID 162035034
bis(2-[3-[4-(3,4-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-(3,5-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-tritert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) (PubChem CID 162035034) has the molecular formula C192H208N16O4Pt4 and a molecular weight of 3584.20 g/mol. Its IUPAC name is bis(2-[3-[4-(3,4-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-(3,5-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-tritert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)).
| Compound Name | bis(2-[3-[4-(3,4-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-(3,5-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-tritert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) |
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| PubChem CID | 162035034 |
| Molecular Formula | C192H208N16O4Pt4 |
| Molecular Weight | 3584.20 g/mol |
| Exact Mass | 3581.52 |
| IUPAC Name | bis(2-[3-[4-(3,4-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide);2-[3-[4-(3,5-ditert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-9-(4-methyl-2-pyridinyl)-1H-carbazol-1-ide;9-(4-methyl-2-pyridinyl)-2-[3-[4-(3,4,5-tritert-butyl-2,6-dipropylphenyl)pyrazol-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;tetrakis(platinum(2+)) |
| SMILES | CCCc1c(-c2cnn(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C)ccn4)ccc3)c2)c(CCC)c(C(C)(C)C)c(C(C)(C)C)c1C(C)(C)C.CCCc1c(C(C)(C)C)cc(C(C)(C)C)c(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1.CCCc1cc(C(C)(C)C)c(C(C)(C)C)c(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1.CCCc1cc(C(C)(C)C)c(C(C)(C)C)c(CCC)c1-c1cnn(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C)ccn3)ccc2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/C51H58N4O.3C47H50N4O.4Pt/c1-13-18-40-45(41(19-14-2)47(50(7,8)9)48(51(10,11)12)46(40)49(4,5)6)34-31-53-54(32-34)35-20-17-21-36(29-35)56-37-24-25-39-38-22-15-16-23-42(38)55(43(39)30-37)44-28-33(3)26-27-52-44;1-10-15-38-40(46(4,5)6)28-41(47(7,8)9)39(16-11-2)45(38)32-29-49-50(30-32)33-17-14-18-34(26-33)52-35-21-22-37-36-19-12-13-20-42(36)51(43(37)27-35)44-25-31(3)23-24-48-44;2*1-10-15-32-26-40(46(4,5)6)45(47(7,8)9)39(16-11-2)44(32)33-29-49-50(30-33)34-17-14-18-35(27-34)52-36-21-22-38-37-19-12-13-20-41(37)51(42(38)28-36)43-25-31(3)23-24-48-43;;;;/h15-17,20-28,31-32H,13-14,18-19H2,1-12H3;12-14,17-25,28-30H,10-11,15-16H2,1-9H3;2*12-14,17-26,29-30H,10-11,15-16H2,1-9H3;;;;/q4*-2;4*+2 |
| InChIKey | NFWHMRMFVLNTCS-UHFFFAOYSA-N |
| XLogP | 50.22 |
| TPSA | 179.48 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 36 |
| Heavy Atoms | 216 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3584.20 |
| LogP ≤ 5 | 50.22 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'} |
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