1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)

C48H33N5OPt — CID 164731834

About 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)

1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+) (PubChem CID 164731834) has the molecular formula C48H33N5OPt and a molecular weight of 890.90 g/mol. Its IUPAC name is 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+).

Molecular Properties

• Compound Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)
• PubChem CID: 164731834
• Molecular Formula: C48H33N5OPt
• Molecular Weight: 890.90 g/mol
• Exact Mass: 890.23
• IUPAC Name: 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)ccc3)ccc2)c2cccnc21.[Pt+4]
• InChI: InChI=1S/C48H33N5O.Pt/c1-50-32-51(45-26-13-29-49-48(45)50)37-19-10-21-39(30-37)54-40-22-11-20-38(31-40)52-33-53(47-43-23-9-8-18-36(43)27-28-44(47)52)46-41(34-14-4-2-5-15-34)24-12-25-42(46)35-16-6-3-7-17-35;/h2-29,32-33H,1H3;/q-4;+4
• InChIKey: PBVDGGUCJBSPKN-UHFFFAOYSA-N
• XLogP: 12.08
• TPSA: 35.08 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	890.90
LogP ≤ 5	12.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

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-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)?

The IUPAC name of 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+) (CID 164731834) is 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+).

What is the SMILES notation for 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)?

The canonical SMILES for 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+) is CN1[CH-]N(c2[c-]c(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cccc5-c5ccccc5)c5c4ccc4ccccc54)ccc3)ccc2)c2cccnc21.[Pt+4].

What is the InChIKey of 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)?

The InChIKey is PBVDGGUCJBSPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H33N5O.Pt/c1-50-32-51(45-26-13-29-49-48(45)50)37-19-10-21-39(30-37)54-40-22-11-20-38(31-40)52-33-53(47-43-23-9-8-18-36(43)27-28-44(47)52)46-41(34-14-4-2-5-15-34)24-12-25-42(46)35-16-6-3-7-17-35;/h2-29,32-33H,1H3;/q-4;+4.

What are the key properties of 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+)?

1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+) has a molecular weight of 890.90 g/mol, XLogP of 12.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2,6-diphenylphenyl)-3-[3-[3-(3-methyl-2H-imidazo[4,5-b]pyridin-2-id-1-yl)benzene-2-id-1-yl]oxybenzene-2-id-1-yl]-2H-benzo[e]benzimidazol-2-ide;platinum(4+) is sourced from PubChem (CID 164731834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).