N-[2-[6-tert-butyl-4-[3-(3-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-[3-(2-methylpropyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;pentakis(platinum(2+))
C220H178N10Pt5S5 — CID 160904478
Data last refreshed: (MolForge compound catalog, from PubChem)
About N-[2-[6-tert-butyl-4-[3-(3-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-[3-(2-methylpropyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;pentakis(platinum(2+))
N-[2-[6-tert-butyl-4-[3-(3-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-[3-(2-methylpropyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;pentakis(platinum(2+)) (PubChem CID 160904478) has the molecular formula C220H178N10Pt5S5 and a molecular weight of 4097.64 g/mol. Its IUPAC name is N-[2-[6-tert-butyl-4-[3-(3-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-[3-(2-methylpropyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;pentakis(platinum(2+)).
Molecular Properties
| Compound Name | N-[2-[6-tert-butyl-4-[3-(3-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-[3-(2-methylpropyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;pentakis(platinum(2+)) |
|---|---|
| PubChem CID | 160904478 |
| Molecular Formula | C220H178N10Pt5S5 |
| Molecular Weight | 4097.64 g/mol |
| Exact Mass | 4094.11 |
| IUPAC Name | N-[2-[6-tert-butyl-4-[3-(3-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-(4-tert-butylphenyl)benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-[3-[3-(2-methylpropyl)phenyl]benzene-6-id-1-yl]-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-1-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;N-[2-[6-tert-butyl-4-(3-naphthalen-2-ylbenzene-6-id-1-yl)-1,3-benzothiazol-2-yl]phenyl]-1-(8H-naphthalen-8-id-1-yl)methanimine;pentakis(platinum(2+)) |
| SMILES | CC(C)(C)c1cc(-c2[c-]ccc(-c3ccc4ccccc4c3)c2)c2nc(-c3ccccc3/N=C/c3cccc4ccc[c-]c34)sc2c1.CC(C)(C)c1cc(-c2[c-]ccc(-c3cccc4ccccc34)c2)c2nc(-c3ccccc3/N=C/c3cccc4ccc[c-]c34)sc2c1.CC(C)(C)c1ccc(-c2cc[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5/N=C/c5cccc6ccc[c-]c56)nc34)c2)cc1.CC(C)(C)c1cccc(-c2cc[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5/N=C/c5cccc6ccc[c-]c56)nc34)c2)c1.CC(C)Cc1cccc(-c2cc[c-]c(-c3cc(C(C)(C)C)cc4sc(-c5ccccc5/N=C/c5cccc6ccc[c-]c56)nc34)c2)c1.[Pt+2].[Pt+2].[Pt+2].[Pt+2].[Pt+2] |
| InChI | InChI=1S/2C44H32N2S.3C44H38N2S.5Pt/c1-44(2,3)34-26-39(32-18-11-17-31(25-32)37-23-12-16-30-14-5-7-21-36(30)37)42-41(27-34)47-43(46-42)38-22-8-9-24-40(38)45-28-33-19-10-15-29-13-4-6-20-35(29)33;1-44(2,3)36-26-39(34-17-11-16-32(25-34)33-23-22-29-12-4-5-14-31(29)24-33)42-41(27-36)47-43(46-42)38-20-8-9-21-40(38)45-28-35-18-10-15-30-13-6-7-19-37(30)35;1-43(2,3)34-20-13-17-31(25-34)30-16-12-18-32(24-30)38-26-35(44(4,5)6)27-40-41(38)46-42(47-40)37-22-9-10-23-39(37)45-28-33-19-11-15-29-14-7-8-21-36(29)33;1-43(2,3)34-23-21-29(22-24-34)31-15-12-16-32(25-31)38-26-35(44(4,5)6)27-40-41(38)46-42(47-40)37-19-9-10-20-39(37)45-28-33-17-11-14-30-13-7-8-18-36(30)33;1-29(2)23-30-13-10-16-32(24-30)33-17-12-18-34(25-33)39-26-36(44(3,4)5)27-41-42(39)46-43(47-41)38-21-8-9-22-40(38)45-28-35-19-11-15-31-14-6-7-20-37(31)35;;;;;/h4-17,19,21-28H,1-3H3;4-16,18,20-28H,1-3H3;7-17,19-20,22-28H,1-6H3;7-15,17,19-28H,1-6H3;6-17,19,21-22,24-29H,23H2,1-5H3;;;;;/q5*-2;5*+2/b5*45-28+;;;;; |
| InChIKey | XIGMFXUELUBULD-LYHDMKSCSA-N |
| XLogP | 61.58 |
| TPSA | 126.25 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 15 |
| Rotatable Bonds | 27 |
| Heavy Atoms | 240 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4097.64 |
| LogP ≤ 5 | 61.58 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 15 |
Computed Properties (RDKit)
| Structural Alerts | {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'} |
|---|
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Sources
- PubChem CID 160904478 — identifiers, structure, computed properties (public domain)
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