6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)

C54H51F3N2OPtS — CID 169025715

About 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)

6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+) (PubChem CID 169025715) has the molecular formula C54H51F3N2OPtS and a molecular weight of 1028.15 g/mol. Its IUPAC name is 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+).

Molecular Properties

• Compound Name: 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)
• PubChem CID: 169025715
• Molecular Formula: C54H51F3N2OPtS
• Molecular Weight: 1028.15 g/mol
• Exact Mass: 1027.33
• IUPAC Name: 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(-c3cc(C)ccn3)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)[c-]c(-c2nccc3c2Sc2cc(CC(C)(C)C(F)(F)F)cc4cccc-3c24)c1.[Pt+2]
• InChI: InChI=1S/C54H51F3N2OS.Pt/c1-30(2)37-27-45(31(3)4)49(46(28-37)32(5)6)39-23-38(47-20-33(7)14-16-58-47)24-42(25-39)60-41-19-34(8)18-40(26-41)51-52-44(15-17-59-51)43-13-11-12-36-21-35(22-48(61-52)50(36)43)29-53(9,10)54(55,56)57;/h11-23,25,27-28,30-32H,29H2,1-10H3;/q-2;+2
• InChIKey: HELSIFATOMELQO-UHFFFAOYSA-N
• XLogP: 16.27
• TPSA: 35.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.15
LogP ≤ 5	16.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)?

The IUPAC name of 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+) (CID 169025715) is 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+).

What is the SMILES notation for 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)?

The canonical SMILES for 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+) is Cc1cc(Oc2[c-]c(-c3cc(C)ccn3)cc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)c2)[c-]c(-c2nccc3c2Sc2cc(CC(C)(C)C(F)(F)F)cc4cccc-3c24)c1.[Pt+2].

What is the InChIKey of 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)?

The InChIKey is HELSIFATOMELQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H51F3N2OS.Pt/c1-30(2)37-27-45(31(3)4)49(46(28-37)32(5)6)39-23-38(47-20-33(7)14-16-58-47)24-42(25-39)60-41-19-34(8)18-40(26-41)51-52-44(15-17-59-51)43-13-11-12-36-21-35(22-48(61-52)50(36)43)29-53(9,10)54(55,56)57;/h11-23,25,27-28,30-32H,29H2,1-10H3;/q-2;+2.

What are the key properties of 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+)?

6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+) has a molecular weight of 1028.15 g/mol, XLogP of 16.27, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-methyl-5-[3-(4-methyl-2-pyridinyl)-5-[2,4,6-tri(propan-2-yl)phenyl]benzene-2-id-1-yl]oxybenzene-6-id-1-yl]-11-(3,3,3-trifluoro-2,2-dimethylpropyl)-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaene;platinum(2+) is sourced from PubChem (CID 169025715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).