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

C54H32N4O2Pt-2 — CID 162460833

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

3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum (PubChem CID 162460833) has the molecular formula C54H32N4O2Pt-2 and a molecular weight of 963.95 g/mol. Its IUPAC name is 3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum.

Molecular Properties

• Compound Name: 3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum
• PubChem CID: 162460833
• Molecular Formula: C54H32N4O2Pt-2
• Molecular Weight: 963.95 g/mol
• Exact Mass: 963.22
• IUPAC Name: 3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum
• SMILES: [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c(cn2)oc2ccccc23)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
• InChI: InChI=1S/C54H32N4O2.Pt/c1-3-15-36(16-4-1)41-23-14-24-42(37-17-5-2-6-18-37)54(41)57-35-56(48-26-10-11-27-49(48)57)38-19-13-20-39(31-38)59-40-29-30-44-43-21-7-9-25-47(43)58(50(44)32-40)53-33-46-45-22-8-12-28-51(45)60-52(46)34-55-53;/h1-30,33-34H;/q-2
• InChIKey: DRZJUKLEJJPSPG-UHFFFAOYSA-N
• XLogP: 12.82
• TPSA: 49.00 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	963.95
LogP ≤ 5	12.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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

The IUPAC name of 3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum (CID 162460833) is 3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum.

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

The canonical SMILES for 3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum is [Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c(cn2)oc2ccccc23)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21.

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

The InChIKey is DRZJUKLEJJPSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O2.Pt/c1-3-15-36(16-4-1)41-23-14-24-42(37-17-5-2-6-18-37)54(41)57-35-56(48-26-10-11-27-49(48)57)38-19-13-20-39(31-38)59-40-29-30-44-43-21-7-9-25-47(43)58(50(44)32-40)53-33-46-45-22-8-12-28-51(45)60-52(46)34-55-53;/h1-30,33-34H;/q-2;.

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

3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum has a molecular weight of 963.95 g/mol, XLogP of 12.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[3-(2,6-diphenylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[2,3-c]pyridine;platinum is sourced from PubChem (CID 162460833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).