6-[3-methyl-5-(3-pyridin-2-ylbenzene-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+)

C38H27F3N2OPtS — CID 169025652

About 6-[3-methyl-5-(3-pyridin-2-ylbenzene-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-pyridin-2-ylbenzene-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 169025652) has the molecular formula C38H27F3N2OPtS and a molecular weight of 811.79 g/mol. Its IUPAC name is 6-[3-methyl-5-(3-pyridin-2-ylbenzene-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-pyridin-2-ylbenzene-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: 169025652
• Molecular Formula: C38H27F3N2OPtS
• Molecular Weight: 811.79 g/mol
• Exact Mass: 811.14
• IUPAC Name: 6-[3-methyl-5-(3-pyridin-2-ylbenzene-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(-c3ccccn3)ccc2)[c-]c(-c2nccc3c2Sc2cc(CC(C)(C)C(F)(F)F)cc4cccc-3c24)c1.[Pt+2]
• InChI: InChI=1S/C38H27F3N2OS.Pt/c1-23-16-27(21-29(17-23)44-28-10-6-8-25(20-28)32-12-4-5-14-42-32)35-36-31(13-15-43-35)30-11-7-9-26-18-24(19-33(45-36)34(26)30)22-37(2,3)38(39,40)41;/h4-19H,22H2,1-3H3;/q-2;+2
• InChIKey: MNOPJRLSOQEMIX-UHFFFAOYSA-N
• XLogP: 10.93
• TPSA: 35.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	811.79
LogP ≤ 5	10.93
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-pyridin-2-ylbenzene-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-pyridin-2-ylbenzene-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 169025652) is 6-[3-methyl-5-(3-pyridin-2-ylbenzene-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-pyridin-2-ylbenzene-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-pyridin-2-ylbenzene-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(-c3ccccn3)ccc2)[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-pyridin-2-ylbenzene-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 MNOPJRLSOQEMIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27F3N2OS.Pt/c1-23-16-27(21-29(17-23)44-28-10-6-8-25(20-28)32-12-4-5-14-42-32)35-36-31(13-15-43-35)30-11-7-9-26-18-24(19-33(45-36)34(26)30)22-37(2,3)38(39,40)41;/h4-19H,22H2,1-3H3;/q-2;+2.

What are the key properties of 6-[3-methyl-5-(3-pyridin-2-ylbenzene-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-pyridin-2-ylbenzene-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 811.79 g/mol, XLogP of 10.93, 6 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-pyridin-2-ylbenzene-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 169025652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).