7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)

C58H62N6OPtS — CID 162465932

About 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)

7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+) (PubChem CID 162465932) has the molecular formula C58H62N6OPtS and a molecular weight of 1089.34 g/mol. Its IUPAC name is 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+).

Molecular Properties

• Compound Name: 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)
• PubChem CID: 162465932
• Molecular Formula: C58H62N6OPtS
• Molecular Weight: 1089.34 g/mol
• Exact Mass: 1088.45
• IUPAC Name: 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)
• SMILES: [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3ccc4c(n3)n(-c3[c-]ccc(C5CCC(C)(C)CC5)c3)c3nc5ccccc5n43)cc3nc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)sc23)cc1C(C)(C)C.[Pt+2]
• InChI: InChI=1S/C58H62N6OS.Pt/c1-33(2)39-27-42(34(3)4)52(43(28-39)35(5)6)55-60-48-30-41(29-44(53(48)66-55)47-31-45(57(8,9)10)36(7)32-59-47)65-51-21-20-50-54(62-51)63(56-61-46-18-13-14-19-49(46)64(50)56)40-17-15-16-38(26-40)37-22-24-58(11,12)25-23-37;/h13-16,18-21,26-28,30-35,37H,22-25H2,1-12H3;/q-2;+2/i7D3
• InChIKey: SPDLEHCFJCJGTN-CYXRNZIJSA-N
• XLogP: 16.22
• TPSA: 70.13 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1089.34
LogP ≤ 5	16.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)?

The IUPAC name of 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+) (CID 162465932) is 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+).

What is the SMILES notation for 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)?

The canonical SMILES for 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+) is [2H]C([2H])([2H])c1cnc(-c2[c-]c(Oc3ccc4c(n3)n(-c3[c-]ccc(C5CCC(C)(C)CC5)c3)c3nc5ccccc5n43)cc3nc(-c4c(C(C)C)cc(C(C)C)cc4C(C)C)sc23)cc1C(C)(C)C.[Pt+2].

What is the InChIKey of 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)?

The InChIKey is SPDLEHCFJCJGTN-CYXRNZIJSA-N. The full InChI is InChI=1S/C58H62N6OS.Pt/c1-33(2)39-27-42(34(3)4)52(43(28-39)35(5)6)55-60-48-30-41(29-44(53(48)66-55)47-31-45(57(8,9)10)36(7)32-59-47)65-51-21-20-50-54(62-51)63(56-61-46-18-13-14-19-49(46)64(50)56)40-17-15-16-38(26-40)37-22-24-58(11,12)25-23-37;/h13-16,18-21,26-28,30-35,37H,22-25H2,1-12H3;/q-2;+2/i7D3;.

What are the key properties of 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+)?

7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+) has a molecular weight of 1089.34 g/mol, XLogP of 16.22, 10 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[4-tert-butyl-5-(trideuteriomethyl)-2-pyridinyl]-5-[[8-[3-(4,4-dimethylcyclohexyl)benzene-6-id-1-yl]-1,6,8,10-tetrazatetracyclo[7.7.0.02,7.011,16]hexadeca-2(7),3,5,9,11,13,15-heptaen-5-yl]oxy]-2-[2,4,6-tri(propan-2-yl)phenyl]-6H-1,3-benzothiazol-6-ide;platinum(2+) is sourced from PubChem (CID 162465932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).