6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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+)

C43H37F3N2OPtS — CID 169025667

About 6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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 169025667) has the molecular formula C43H37F3N2OPtS and a molecular weight of 881.92 g/mol. Its IUPAC name is 6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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: 169025667
• Molecular Formula: C43H37F3N2OPtS
• Molecular Weight: 881.92 g/mol
• Exact Mass: 881.22
• IUPAC Name: 6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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(-c3nccc4c3Sc3cc(CC(C)(C)C(F)(F)F)cc5cccc-4c35)cc(C)c2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2]
• InChI: InChI=1S/C43H37F3N2OS.Pt/c1-25-15-29(36-23-31(11-13-47-36)41(3,4)5)21-32(17-25)49-33-18-26(2)16-30(22-33)39-40-35(12-14-48-39)34-10-8-9-28-19-27(20-37(50-40)38(28)34)24-42(6,7)43(44,45)46;/h8-20,23H,24H2,1-7H3;/q-2;+2
• InChIKey: UBQSGCPVLGGDBB-UHFFFAOYSA-N
• XLogP: 12.53
• TPSA: 35.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	881.92
LogP ≤ 5	12.53
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-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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 169025667) is 6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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(-c3nccc4c3Sc3cc(CC(C)(C)C(F)(F)F)cc5cccc-4c35)cc(C)c2)[c-]c(-c2cc(C(C)(C)C)ccn2)c1.[Pt+2].

What is the InChIKey of 6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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 UBQSGCPVLGGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H37F3N2OS.Pt/c1-25-15-29(36-23-31(11-13-47-36)41(3,4)5)21-32(17-25)49-33-18-26(2)16-30(22-33)39-40-35(12-14-48-39)34-10-8-9-28-19-27(20-37(50-40)38(28)34)24-42(6,7)43(44,45)46;/h8-20,23H,24H2,1-7H3;/q-2;+2.

What are the key properties of 6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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 881.92 g/mol, XLogP of 12.53, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[3-(4-tert-butyl-2-pyridinyl)-5-methylbenzene-2-id-1-yl]oxy-5-methylbenzene-2-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 169025667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).