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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum

C146H88N12O6Pt3-6 — CID 158989102

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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (PubChem CID 158989102) has the molecular formula C146H88N12O6Pt3-6 and a molecular weight of 2700.68 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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• PubChem CID: 158989102
• Molecular Formula: C146H88N12O6Pt3-6
• Molecular Weight: 2700.68 g/mol
• Exact Mass: 2698.65
• 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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum
• SMILES: C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4oc5ccccc5c4cn3)ccc2)c2ccccc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc5oc6ccccc6c5cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3oc4ccccc4c3cn2)cccc1-n1[c-][n+](-c2c(-c3ccccc3)cccc2-c2ccccc2)c2ccccc21
• InChI: InChI=1S/C55H34N4O2.C54H32N4O2.C37H22N4O2.3Pt/c1-36-14-11-17-38(30-36)43-23-13-22-42(37-15-3-2-4-16-37)55(43)58-35-57(49-25-8-9-26-50(49)58)39-18-12-19-40(31-39)60-41-28-29-45-44-20-5-7-24-48(44)59(51(45)32-41)54-33-53-47(34-56-54)46-21-6-10-27-52(46)61-53;1-3-15-36(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)53-33-52-46(34-55-53)45-22-8-12-28-51(45)60-52;1-39-23-40(33-15-6-5-14-32(33)39)24-9-8-10-25(19-24)42-26-17-18-28-27-11-2-4-13-31(27)41(34(28)20-26)37-21-36-30(22-38-37)29-12-3-7-16-35(29)43-36;;;/h2-30,33-34H,1H3;1-30,33-34H;2-18,21-22H,1H3;;;/q3*-2;;;/i2D,3D,4D,11D,14D,15D,16D,17D,30D
• InChIKey: YCGIUYPVJCXYMS-CMBAPQJXSA-N
• XLogP: 33.99
• TPSA: 147.00 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 18
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2700.68
LogP ≤ 5	33.99
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum (CID 158989102) 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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is C[n+]1[c-]n(-c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc4oc5ccccc5c4cn3)ccc2)c2ccccc21.[2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c(C)c3[2H])c2-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc5oc6ccccc6c5cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3oc4ccccc4c3cn2)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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum?

The InChIKey is YCGIUYPVJCXYMS-CMBAPQJXSA-N. The full InChI is InChI=1S/C55H34N4O2.C54H32N4O2.C37H22N4O2.3Pt/c1-36-14-11-17-38(30-36)43-23-13-22-42(37-15-3-2-4-16-37)55(43)58-35-57(49-25-8-9-26-50(49)58)39-18-12-19-40(31-39)60-41-28-29-45-44-20-5-7-24-48(44)59(51(45)32-41)54-33-53-47(34-56-54)46-21-6-10-27-52(46)61-53;1-3-15-36(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)53-33-52-46(34-55-53)45-22-8-12-28-51(45)60-52;1-39-23-40(33-15-6-5-14-32(33)39)24-9-8-10-25(19-24)42-26-17-18-28-27-11-2-4-13-31(27)41(34(28)20-26)37-21-36-30(22-38-37)29-12-3-7-16-35(29)43-36;;;/h2-30,33-34H,1H3;1-30,33-34H;2-18,21-22H,1H3;;;/q3*-2;;;/i2D,3D,4D,11D,14D,15D,16D,17D,30D;;;;;.

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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum has a molecular weight of 2700.68 g/mol, XLogP of 33.99, 18 rotatable bonds, 0 hydrogen bond donors, and 15 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[3,2-c]pyridine;3-[2-[3-(3-methyl-2H-benzimidazol-3-ium-2-id-1-yl)benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;3-[2-[3-[3-[2-(2,3,4,5,6-pentadeuteriophenyl)-6-(2,3,4,6-tetradeuterio-5-methylphenyl)phenyl]-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-[1]benzofuro[3,2-c]pyridine;platinum is sourced from PubChem (CID 158989102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).