3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum

C43H26N4OPt-2 — CID 171416094

About 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum

3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (PubChem CID 171416094) has the molecular formula C43H26N4OPt-2 and a molecular weight of 809.79 g/mol. Its IUPAC name is 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum.

Molecular Properties

• Compound Name: 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• PubChem CID: 171416094
• Molecular Formula: C43H26N4OPt-2
• Molecular Weight: 809.79 g/mol
• Exact Mass: 809.18
• IUPAC Name: 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• SMILES: [Pt].[c-]1c(Cc2[c-]c3c(cc2)c2ccccc2n3-c2cc3oc4ccccc4c3cn2)cccc1-n1[c-][n+](-c2ccccc2)c2ccccc21
• InChI: InChI=1S/C43H26N4O.Pt/c1-2-12-31(13-3-1)45-28-46(39-19-8-7-18-38(39)45)32-14-10-11-29(24-32)23-30-21-22-34-33-15-4-6-17-37(33)47(40(34)25-30)43-26-42-36(27-44-43)35-16-5-9-20-41(35)48-42;/h1-22,26-27H,23H2;/q-2
• InChIKey: RJIQLOZEMNAYJO-UHFFFAOYSA-N
• XLogP: 9.29
• TPSA: 39.77 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 49
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	809.79
LogP ≤ 5	9.29
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 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The IUPAC name of 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (CID 171416094) is 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum.

What is the SMILES notation for 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The canonical SMILES for 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is [Pt].[c-]1c(Cc2[c-]c3c(cc2)c2ccccc2n3-c2cc3oc4ccccc4c3cn2)cccc1-n1[c-][n+](-c2ccccc2)c2ccccc21.

What is the InChIKey of 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The InChIKey is RJIQLOZEMNAYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H26N4O.Pt/c1-2-12-31(13-3-1)45-28-46(39-19-8-7-18-38(39)45)32-14-10-11-29(24-32)23-30-21-22-34-33-15-4-6-17-37(33)47(40(34)25-30)43-26-42-36(27-44-43)35-16-5-9-20-41(35)48-42;/h1-22,26-27H,23H2;/q-2;.

What are the key properties of 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum has a molecular weight of 809.79 g/mol, XLogP of 9.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[[3-(3-phenyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]methyl]-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is sourced from PubChem (CID 171416094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).