C238H240N16O4Pt4-12 — CID 158768630
7-tert-butyl-2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;6-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 158768630) has the molecular formula C238H240N16O4Pt4-12 and a molecular weight of 4168.96 g/mol. Its IUPAC name is 7-tert-butyl-2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;6-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum.
| Compound Name | 7-tert-butyl-2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;6-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum |
|---|---|
| PubChem CID | 158768630 |
| Molecular Formula | C238H240N16O4Pt4-12 |
| Molecular Weight | 4168.96 g/mol |
| Exact Mass | 4165.77 |
| IUPAC Name | 7-tert-butyl-2-[3-[5-tert-butyl-3-[3-tert-butyl-5-(4-tert-butylphenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;6-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;7-tert-butyl-2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-phenyl-1H-carbazol-1-ide;platinum |
| SMILES | CC(C)(C)c1cc(-c2ccccc2)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1cc(-c2ccccc2)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1cc(-c2ccccc2)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4ccc(C(C)(C)C)cc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(C(C)(C)C)cc32)c1.CC(C)(C)c1ccc(-c2cc(N3[CH-]N(c4[c-]c(Oc5[c-]c6c(cc5)c5ccc(C(C)(C)C)cc5n6-c5cc(C(C)(C)C)ccn5)ccc4)c4ccc(C(C)(C)C)cc43)cc(C(C)(C)C)c2)cc1.[Pt].[Pt].[Pt].[Pt] |
| InChI | InChI=1S/C62H67N4O.C60H55N4O.2C58H59N4O.4Pt/c1-58(2,3)42-21-19-40(20-22-42)41-31-46(62(13,14)15)33-48(32-41)65-39-64(53-28-24-44(35-56(53)65)60(7,8)9)47-17-16-18-49(37-47)67-50-25-27-52-51-26-23-43(59(4,5)6)34-54(51)66(55(52)38-50)57-36-45(29-30-63-57)61(10,11)12;1-58(2,3)44-24-28-54-56(35-44)63(48-32-43(41-19-14-11-15-20-41)31-46(34-48)60(7,8)9)39-62(54)47-21-16-22-49(37-47)65-50-25-26-51-52-33-42(40-17-12-10-13-18-40)23-27-53(52)64(55(51)38-50)57-36-45(29-30-61-57)59(4,5)6;1-55(2,3)40-21-25-50-49(32-40)48-24-23-47(36-52(48)62(50)54-34-42(27-28-59-54)57(7,8)9)63-46-20-16-19-44(35-46)60-37-61(53-33-41(56(4,5)6)22-26-51(53)60)45-30-39(38-17-14-13-15-18-38)29-43(31-45)58(10,11)12;1-55(2,3)40-21-24-48-49-25-23-47(36-52(49)62(51(48)32-40)54-34-42(27-28-59-54)57(7,8)9)63-46-20-16-19-44(35-46)60-37-61(53-33-41(56(4,5)6)22-26-50(53)60)45-30-39(38-17-14-13-15-18-38)29-43(31-45)58(10,11)12;;;;/h16-36,39H,1-15H3;10-36,39H,1-9H3;2*13-34,37H,1-12H3;;;;/q4*-3;;;; |
| InChIKey | QGRYAWKNBNJOCF-UHFFFAOYSA-N |
| XLogP | 65.01 |
| TPSA | 134.12 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 262 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4168.96 |
| LogP ≤ 5 | 65.01 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 20 |