6-[3-methyl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+)

C33H20N2OPtS — CID 169025695

About 6-[3-methyl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+)

6-[3-methyl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+) (PubChem CID 169025695) has the molecular formula C33H20N2OPtS and a molecular weight of 687.68 g/mol. Its IUPAC name is 6-[3-methyl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+)
• PubChem CID: 169025695
• Molecular Formula: C33H20N2OPtS
• Molecular Weight: 687.68 g/mol
• Exact Mass: 687.09
• IUPAC Name: 6-[3-methyl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+)
• SMILES: Cc1cc(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c(-c2nccc3c2Sc2cccc4cccc-3c24)c1.[Pt+2]
• InChI: InChI=1S/C33H20N2OS.Pt/c1-21-17-24(20-26(18-21)36-25-10-4-9-23(19-25)29-12-2-3-15-34-29)32-33-28(14-16-35-32)27-11-5-7-22-8-6-13-30(37-33)31(22)27;/h2-18H,1H3;/q-2;+2
• InChIKey: RFGQAODYAXDFNC-UHFFFAOYSA-N
• XLogP: 8.79
• TPSA: 35.01 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	687.68
LogP ≤ 5	8.79
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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+) (CID 169025695) is 6-[3-methyl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+) is Cc1cc(Oc2[c-]c(-c3ccccn3)ccc2)[c-]c(-c2nccc3c2Sc2cccc4cccc-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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+)?

The InChIKey is RFGQAODYAXDFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N2OS.Pt/c1-21-17-24(20-26(18-21)36-25-10-4-9-23(19-25)29-12-2-3-15-34-29)32-33-28(14-16-35-32)27-11-5-7-22-8-6-13-30(37-33)31(22)27;/h2-18H,1H3;/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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+)?

6-[3-methyl-5-(3-pyridin-2-ylbenzene-2-id-1-yl)oxybenzene-6-id-1-yl]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+) has a molecular weight of 687.68 g/mol, XLogP of 8.79, 4 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]-8-thia-5-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2(7),3,5,9,11,13(17),14-octaene;platinum(2+) is sourced from PubChem (CID 169025695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).