1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

C47H32N3OPt-3 — CID 164731600

About 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum

1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (PubChem CID 164731600) has the molecular formula C47H32N3OPt-3 and a molecular weight of 849.87 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
• PubChem CID: 164731600
• Molecular Formula: C47H32N3OPt-3
• Molecular Weight: 849.87 g/mol
• Exact Mass: 849.22
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum
• SMILES: Cc1ccnc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)ccc3)ccc2)c1.[Pt]
• InChI: InChI=1S/C47H32N3O.Pt/c1-33-27-28-48-44(29-33)37-18-10-20-39(30-37)51-40-21-11-19-38(31-40)49-32-50(47-43-22-9-8-17-36(43)25-26-45(47)49)46-41(34-13-4-2-5-14-34)23-12-24-42(46)35-15-6-3-7-16-35;/h2-29,32H,1H3;/q-3
• InChIKey: VHWLBWRIWKBDAF-UHFFFAOYSA-N
• XLogP: 12.34
• TPSA: 28.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	849.87
LogP ≤ 5	12.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum (CID 164731600) is 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum.

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is Cc1ccnc(-c2[c-]c(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)ccc3)ccc2)c1.[Pt].

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

The InChIKey is VHWLBWRIWKBDAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C47H32N3O.Pt/c1-33-27-28-48-44(29-33)37-18-10-20-39(30-37)51-40-21-11-19-38(31-40)49-32-50(47-43-22-9-8-17-36(43)25-26-45(47)49)46-41(34-13-4-2-5-14-34)23-12-24-42(46)35-15-6-3-7-16-35;/h2-29,32H,1H3;/q-3;.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum?

1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum has a molecular weight of 849.87 g/mol, XLogP of 12.34, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-[3-(4-methyl-2-pyridinyl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum is sourced from PubChem (CID 164731600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).