bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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+))

C76H46N18Pt2+4 — CID 171461912

About bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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 171461912) has the molecular formula C76H46N18Pt2+4 and a molecular weight of 1601.49 g/mol. Its IUPAC name is bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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: 171461912
• Molecular Formula: C76H46N18Pt2+4
• Molecular Weight: 1601.49 g/mol
• Exact Mass: 1600.34
• IUPAC Name: bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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)c2ncccc21.C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.[Pt+2].[Pt+2]
• InChI: InChI=1S/2C38H23N9.2Pt/c2*1-46-23-47(36-34(46)6-3-12-43-36)38(32-21-41-15-9-28(32)29-10-16-42-22-33(29)38)25-5-2-4-24(18-25)37(35-11-17-44-45-35)30-19-39-13-7-26(30)27-8-14-40-20-31(27)37;;/h2*2-17,19-22H,1H3;;/q;;2*+2
• InChIKey: MBHVMGPBUOFCDK-UHFFFAOYSA-N
• XLogP: 10.50
• TPSA: 194.92 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 8
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1601.49
LogP ≤ 5	10.50
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

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-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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 171461912) is bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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)c2ncccc21.C[N+]1=C=[N+](C2(c3[c-]c(C4(c5cc[n-]n5)c5cnccc5-c5ccncc54)ccc3)c3cnccc3-c3ccncc32)c2ncccc21.[Pt+2].[Pt+2].

What is the InChIKey of bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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 MBHVMGPBUOFCDK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C38H23N9.2Pt/c2*1-46-23-47(36-34(46)6-3-12-43-36)38(32-21-41-15-9-28(32)29-10-16-42-22-33(29)38)25-5-2-4-24(18-25)37(35-11-17-44-45-35)30-19-39-13-7-26(30)27-8-14-40-20-31(27)37;;/h2*2-17,19-22H,1H3;;/q;;2*+2.

What are the key properties of bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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 1601.49 g/mol, XLogP of 10.50, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for bis(8-(1-methylimidazo[4,5-b]pyridine-1,3-diium-3-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 171461912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).