8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)

C51H31N5OPt+2 — CID 164731831

About 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)

8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+) (PubChem CID 164731831) has the molecular formula C51H31N5OPt+2 and a molecular weight of 924.92 g/mol. Its IUPAC name is 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+).

Molecular Properties

• Compound Name: 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)
• PubChem CID: 164731831
• Molecular Formula: C51H31N5OPt+2
• Molecular Weight: 924.92 g/mol
• Exact Mass: 924.22
• IUPAC Name: 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)
• SMILES: C1=[N+](c2[c-]c(Oc3[c-]c(-n4c5ccncc5c5cccnc54)ccc3)ccc2)c2ccc3ccccc3c2[N+]=1c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C51H31N5O.Pt/c1-3-13-35(14-4-1)42-23-11-24-43(36-15-5-2-6-16-36)49(42)55-34-54(48-27-26-37-17-7-8-22-44(37)50(48)55)38-18-9-20-40(31-38)57-41-21-10-19-39(32-41)56-47-28-30-52-33-46(47)45-25-12-29-53-51(45)56;/h1-30,33H;/q;+2
• InChIKey: RZPXRHBBJBARSR-UHFFFAOYSA-N
• XLogP: 12.31
• TPSA: 45.96 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	924.92
LogP ≤ 5	12.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)?

The IUPAC name of 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+) (CID 164731831) is 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+).

What is the SMILES notation for 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)?

The canonical SMILES for 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+) is C1=[N+](c2[c-]c(Oc3[c-]c(-n4c5ccncc5c5cccnc54)ccc3)ccc2)c2ccc3ccccc3c2[N+]=1c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt+2].

What is the InChIKey of 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)?

The InChIKey is RZPXRHBBJBARSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N5O.Pt/c1-3-13-35(14-4-1)42-23-11-24-43(36-15-5-2-6-16-36)49(42)55-34-54(48-27-26-37-17-7-8-22-44(37)50(48)55)38-18-9-20-40(31-38)57-41-21-10-19-39(32-41)56-47-28-30-52-33-46(47)45-25-12-29-53-51(45)56;/h1-30,33H;/q;+2.

What are the key properties of 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+)?

8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+) has a molecular weight of 924.92 g/mol, XLogP of 12.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[3-[1-(2,6-diphenylphenyl)benzo[e]benzimidazole-1,3-diium-3-yl]benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;platinum(2+) is sourced from PubChem (CID 164731831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).