1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)

C43H28N6OPt+4 — CID 164731873

About 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)

1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) (PubChem CID 164731873) has the molecular formula C43H28N6OPt+4 and a molecular weight of 839.82 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+).

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)
• PubChem CID: 164731873
• Molecular Formula: C43H28N6OPt+4
• Molecular Weight: 839.82 g/mol
• Exact Mass: 839.20
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)
• SMILES: C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c([N+]4=C=[N+](c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)ccc3)ccc2)N=N1.[Pt+2]
• InChI: InChI=1S/C43H28N6O.Pt/c1-46-29-49(45-44-46)35-19-11-21-37(28-35)50-36-20-10-18-34(27-36)47-30-48(43-40-22-9-8-17-33(40)25-26-41(43)47)42-38(31-13-4-2-5-14-31)23-12-24-39(42)32-15-6-3-7-16-32;/h2-26H,1H3;/q2*+2
• InChIKey: KSZKRIQRVMDAMC-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 45.99 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 7
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.82
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

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-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) (CID 164731873) is 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+).

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) is C[N+]1=C=[N+](c2[c-]c(Oc3[c-]c([N+]4=C=[N+](c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)ccc3)ccc2)N=N1.[Pt+2].

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

The InChIKey is KSZKRIQRVMDAMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H28N6O.Pt/c1-46-29-49(45-44-46)35-19-11-21-37(28-35)50-36-20-10-18-34(27-36)47-30-48(43-40-22-9-8-17-33(40)25-26-41(43)47)42-38(31-13-4-2-5-14-31)23-12-24-39(42)32-15-6-3-7-16-32;/h2-26H,1H3;/q2*+2.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+)?

1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) has a molecular weight of 839.82 g/mol, XLogP of 10.18, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2,3-diaza-1,4-diazoniacyclopenta-2,4,5-trien-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]benzo[e]benzimidazole-1,3-diium;platinum(2+) is sourced from PubChem (CID 164731873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).