bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+))

C70H44N16Pt2+4 — CID 171461949

About bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+)) (PubChem CID 171461949) has the molecular formula C70H44N16Pt2+4 and a molecular weight of 1499.39 g/mol. Its IUPAC name is bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+)).

Molecular Properties

• Compound Name: bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+))
• PubChem CID: 171461949
• Molecular Formula: C70H44N16Pt2+4
• Molecular Weight: 1499.39 g/mol
• Exact Mass: 1498.32
• IUPAC Name: bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+))
• SMILES: C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)C=C1.C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)C=C1.[Pt+2].[Pt+2]
• InChI: InChI=1S/2C35H22N8.2Pt/c2*1-42-15-16-43(22-42)35(31-20-38-12-7-27(31)28-8-13-39-21-32(28)35)24-4-2-3-23(17-24)34(33-9-14-40-41-33)29-18-36-10-5-25(29)26-6-11-37-19-30(26)34;;/h2*2-16,18-21H,1H3;;/q;;2*+2
• InChIKey: AQHHXGHPAJJALO-UHFFFAOYSA-N
• XLogP: 8.73
• TPSA: 169.14 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1499.39
LogP ≤ 5	8.73
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(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+))?

The IUPAC name of bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+)) (CID 171461949) is bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+)).

What is the SMILES notation for bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+))?

The canonical SMILES for bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+)) is C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)C=C1.C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)C=C1.[Pt+2].[Pt+2].

What is the InChIKey of bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+))?

The InChIKey is AQHHXGHPAJJALO-UHFFFAOYSA-N. The full InChI is InChI=1S/2C35H22N8.2Pt/c2*1-42-15-16-43(22-42)35(31-20-38-12-7-27(31)28-8-13-39-21-32(28)35)24-4-2-3-23(17-24)34(33-9-14-40-41-33)29-18-36-10-5-25(29)26-6-11-37-19-30(26)34;;/h2*2-16,18-21H,1H3;;/q;;2*+2.

What are the key properties of bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+)) has a molecular weight of 1499.39 g/mol, XLogP of 8.73, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-(3-methylimidazole-1,3-diium-1-yl)-8-[3-(8-pyrazol-1-id-3-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+)) is sourced from PubChem (CID 171461949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).