bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)

C74H52N16Pt2+4 — CID 171461879

About bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)

bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene) (PubChem CID 171461879) has the molecular formula C74H52N16Pt2+4 and a molecular weight of 1555.50 g/mol. Its IUPAC name is bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene).

Molecular Properties

• Compound Name: bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)
• PubChem CID: 171461879
• Molecular Formula: C74H52N16Pt2+4
• Molecular Weight: 1555.50 g/mol
• Exact Mass: 1554.38
• IUPAC Name: bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)
• SMILES: CC1=C(C)[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)=C=[N+]1C.CC1=C(C)[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)=C=[N+]1C.[Pt+2].[Pt+2]
• InChI: InChI=1S/2C37H26N8.2Pt/c2*1-23-24(2)45(22-44(23)3)37(33-20-40-14-9-29(33)30-10-15-41-21-34(30)37)26-6-4-5-25(17-26)36(35-11-16-42-43-35)31-18-38-12-7-27(31)28-8-13-39-19-32(28)36;;/h2*4-16,18-21H,1-3H3;;/q;;2*+2
• InChIKey: MZLREPOMOQOQQL-UHFFFAOYSA-N
• XLogP: 10.29
• TPSA: 169.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 92
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1555.50
LogP ≤ 5	10.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)?

The IUPAC name of bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene) (CID 171461879) is bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene).

What is the SMILES notation for bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)?

The canonical SMILES for bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene) is CC1=C(C)[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)=C=[N+]1C.CC1=C(C)[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)=C=[N+]1C.[Pt+2].[Pt+2].

What is the InChIKey of bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)?

The InChIKey is MZLREPOMOQOQQL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C37H26N8.2Pt/c2*1-23-24(2)45(22-44(23)3)37(33-20-40-14-9-29(33)30-10-15-41-21-34(30)37)26-6-4-5-25(17-26)36(35-11-16-42-43-35)31-18-38-12-7-27(31)28-8-13-39-19-32(28)36;;/h2*4-16,18-21H,1-3H3;;/q;;2*+2.

What are the key properties of bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene)?

bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene) has a molecular weight of 1555.50 g/mol, XLogP of 10.29, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(platinum(2+));bis(8-pyrazol-1-id-3-yl-8-[3-[8-(3,4,5-trimethylimidazole-1,3-diium-1-yl)-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaen-8-yl]benzene-2-id-1-yl]-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene) is sourced from PubChem (CID 171461879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).