1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)

C50H30N6OPt+2 — CID 164731898

About 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)

1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) (PubChem CID 164731898) has the molecular formula C50H30N6OPt+2 and a molecular weight of 925.91 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+).

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)
• PubChem CID: 164731898
• Molecular Formula: C50H30N6OPt+2
• Molecular Weight: 925.91 g/mol
• Exact Mass: 925.21
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)
• SMILES: C1=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ncncn3)ccc2)c2ccc3ccccc3c2[N+]=1c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt+2]
• InChI: InChI=1S/C50H30N6O.Pt/c1-3-13-34(14-4-1)40-22-12-23-41(35-15-5-2-6-16-35)48(40)55-33-54(46-28-25-36-17-7-8-20-42(36)49(46)55)37-18-11-19-38(29-37)57-39-26-27-44-43-21-9-10-24-45(43)56(47(44)30-39)50-52-31-51-32-53-50;/h1-28,31-32H;/q;+2
• InChIKey: UIMQHZDBDXQOHD-UHFFFAOYSA-N
• XLogP: 11.70
• TPSA: 58.85 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	925.91
LogP ≤ 5	11.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) (CID 164731898) is 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+).

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) is C1=[N+](c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ncncn3)ccc2)c2ccc3ccccc3c2[N+]=1c1c(-c2ccccc2)cccc1-c1ccccc1.[Pt+2].

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

The InChIKey is UIMQHZDBDXQOHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N6O.Pt/c1-3-13-34(14-4-1)40-22-12-23-41(35-15-5-2-6-16-35)48(40)55-33-54(46-28-25-36-17-7-8-20-42(36)49(46)55)37-18-11-19-38(29-37)57-39-26-27-44-43-21-9-10-24-45(43)56(47(44)30-39)50-52-31-51-32-53-50;/h1-28,31-32H;/q;+2.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) has a molecular weight of 925.91 g/mol, XLogP of 11.70, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-[[9-(1,3,5-triazin-2-yl)-1H-carbazol-1-id-2-yl]oxy]benzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) is sourced from PubChem (CID 164731898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).