3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum

C43H27N4O2Pt-3 — CID 162476160

About 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum

3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (PubChem CID 162476160) has the molecular formula C43H27N4O2Pt-3 and a molecular weight of 826.79 g/mol. Its IUPAC name is 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum.

Molecular Properties

• Compound Name: 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• PubChem CID: 162476160
• Molecular Formula: C43H27N4O2Pt-3
• Molecular Weight: 826.79 g/mol
• Exact Mass: 826.18
• IUPAC Name: 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• SMILES: CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc4oc5ccccc5c4cn3)ccc2)c2ccccc21.[Pt]
• InChI: InChI=1S/C43H27N4O2.Pt/c1-45-27-46(39-16-7-6-15-38(39)45)30-12-9-13-31(23-30)48-32-19-20-33-35-22-29(28-10-3-2-4-11-28)18-21-37(35)47(40(33)24-32)43-25-42-36(26-44-43)34-14-5-8-17-41(34)49-42;/h2-22,25-27H,1H3;/q-3
• InChIKey: YDFYMFXJVSZQJN-UHFFFAOYSA-N
• XLogP: 10.84
• TPSA: 46.67 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	826.79
LogP ≤ 5	10.84
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 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The IUPAC name of 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (CID 162476160) is 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum.

What is the SMILES notation for 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The canonical SMILES for 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is CN1[CH-]N(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(-c5ccccc5)ccc3n4-c3cc4oc5ccccc5c4cn3)ccc2)c2ccccc21.[Pt].

What is the InChIKey of 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The InChIKey is YDFYMFXJVSZQJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C43H27N4O2.Pt/c1-45-27-46(39-16-7-6-15-38(39)45)30-12-9-13-31(23-30)48-32-19-20-33-35-22-29(28-10-3-2-4-11-28)18-21-37(35)47(40(33)24-32)43-25-42-36(26-44-43)34-14-5-8-17-41(34)49-42;/h2-22,25-27H,1H3;/q-3;.

What are the key properties of 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum has a molecular weight of 826.79 g/mol, XLogP of 10.84, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-(3-methyl-2H-benzimidazol-2-id-1-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is sourced from PubChem (CID 162476160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).