15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)

C40H36N2OPtS2 — CID 171724960

About 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)

15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+) (PubChem CID 171724960) has the molecular formula C40H36N2OPtS2 and a molecular weight of 819.95 g/mol. Its IUPAC name is 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+).

Molecular Properties

• Compound Name: 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)
• PubChem CID: 171724960
• Molecular Formula: C40H36N2OPtS2
• Molecular Weight: 819.95 g/mol
• Exact Mass: 819.19
• IUPAC Name: 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)
• SMILES: Cc1sc(-c2nccc3c2sc2c4ccc(CC(C)(C)C)cc4ccc32)[c-]c1Oc1[c-]c(-c2cc(C(C)(C)C)ccn2)ccc1.[Pt+2]
• InChI: InChI=1S/C40H36N2OS2.Pt/c1-24-34(43-29-10-8-9-27(20-29)33-21-28(15-17-41-33)40(5,6)7)22-35(44-24)36-38-32(16-18-42-36)31-14-12-26-19-25(23-39(2,3)4)11-13-30(26)37(31)45-38;/h8-19,21H,23H2,1-7H3;/q-2;+2
• InChIKey: GALQKUWZMSVHFY-UHFFFAOYSA-N
• XLogP: 11.98
• TPSA: 35.01 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.95
LogP ≤ 5	11.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)?

The IUPAC name of 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+) (CID 171724960) is 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+).

What is the SMILES notation for 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)?

The canonical SMILES for 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+) is Cc1sc(-c2nccc3c2sc2c4ccc(CC(C)(C)C)cc4ccc32)[c-]c1Oc1[c-]c(-c2cc(C(C)(C)C)ccn2)ccc1.[Pt+2].

What is the InChIKey of 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)?

The InChIKey is GALQKUWZMSVHFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H36N2OS2.Pt/c1-24-34(43-29-10-8-9-27(20-29)33-21-28(15-17-41-33)40(5,6)7)22-35(44-24)36-38-32(16-18-42-36)31-14-12-26-19-25(23-39(2,3)4)11-13-30(26)37(31)45-38;/h8-19,21H,23H2,1-7H3;/q-2;+2.

What are the key properties of 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+)?

15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+) has a molecular weight of 819.95 g/mol, XLogP of 11.98, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 15-[4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]oxy-5-methyl-3H-thiophen-3-id-2-yl]-5-(2,2-dimethylpropyl)-17-thia-14-azatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2(7),3,5,8,11(16),12,14-octaene;platinum(2+) is sourced from PubChem (CID 171724960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).