3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum

C181H111N17O3Pt3-6 — CID 161055831

About 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum

3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum (PubChem CID 161055831) has the molecular formula C181H111N17O3Pt3-6 and a molecular weight of 3166.28 g/mol. Its IUPAC name is 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum.

Molecular Properties

• Compound Name: 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum
• PubChem CID: 161055831
• Molecular Formula: C181H111N17O3Pt3-6
• Molecular Weight: 3166.28 g/mol
• Exact Mass: 3163.86
• IUPAC Name: 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum
• SMILES: [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-c4cc5c6ccccc6n(-c6ccccc6)c5cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c4ccccc4n(-c4ccccc4)c3cn2)cccc1-n1[c-][n+](-c2cccc3c4ccccc4n(-c4ccccc4)c23)c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c4ccccc4n(-c4ccccc4)c3cn2)cccc1-n1[c-][n+](-c2ccccc2-n2c3ccccc3c3ccccc32)c2ccccc21
• InChI: InChI=1S/C61H39N5O.2C60H36N6O.3Pt/c1-41-17-14-20-43(35-41)49-28-16-27-48(42-18-4-2-5-19-42)61(49)64-40-63(56-31-12-13-32-57(56)64)45-23-15-24-46(36-45)67-47-33-34-52-50-25-8-11-30-55(50)66(58(52)37-47)60-38-53-51-26-9-10-29-54(51)65(59(53)39-62-60)44-21-6-3-7-22-44;1-3-17-40(18-4-1)64-51-27-10-9-25-47(51)50-37-59(61-38-58(50)64)66-53-29-12-7-23-45(53)48-34-33-44(36-57(48)66)67-43-22-15-21-42(35-43)62-39-63(55-31-14-13-30-54(55)62)56-32-16-26-49-46-24-8-11-28-52(46)65(60(49)56)41-19-5-2-6-20-41;1-2-17-40(18-3-1)64-50-25-8-7-24-47(50)49-37-60(61-38-59(49)64)66-53-28-11-6-23-46(53)48-34-33-43(36-58(48)66)67-42-20-16-19-41(35-42)62-39-63(55-30-13-12-29-54(55)62)56-31-14-15-32-57(56)65-51-26-9-4-21-44(51)45-22-5-10-27-52(45)65;;;/h2-35,38-39H,1H3;2*1-34,37-38H;;;/q3*-2;;;/i2D,4D,5D,14D,17D,18D,19D,20D,35D
• InChIKey: GGOLUARWJYOWCM-FRNJKBAUSA-N
• XLogP: 41.90
• TPSA: 132.23 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 22
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3166.28
LogP ≤ 5	41.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

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-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum?

The IUPAC name of 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum (CID 161055831) is 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum.

What is the SMILES notation for 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum?

The canonical SMILES for 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum is [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-c4cc5c6ccccc6n(-c6ccccc6)c5cn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].[Pt].[Pt].[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c4ccccc4n(-c4ccccc4)c3cn2)cccc1-n1[c-][n+](-c2cccc3c4ccccc4n(-c4ccccc4)c23)c2ccccc21.[c-]1c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc3c4ccccc4n(-c4ccccc4)c3cn2)cccc1-n1[c-][n+](-c2ccccc2-n2c3ccccc3c3ccccc32)c2ccccc21.

What is the InChIKey of 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum?

The InChIKey is GGOLUARWJYOWCM-FRNJKBAUSA-N. The full InChI is InChI=1S/C61H39N5O.2C60H36N6O.3Pt/c1-41-17-14-20-43(35-41)49-28-16-27-48(42-18-4-2-5-19-42)61(49)64-40-63(56-31-12-13-32-57(56)64)45-23-15-24-46(36-45)67-47-33-34-52-50-25-8-11-30-55(50)66(58(52)37-47)60-38-53-51-26-9-10-29-54(51)65(59(53)39-62-60)44-21-6-3-7-22-44;1-3-17-40(18-4-1)64-51-27-10-9-25-47(51)50-37-59(61-38-58(50)64)66-53-29-12-7-23-45(53)48-34-33-44(36-57(48)66)67-43-22-15-21-42(35-43)62-39-63(55-31-14-13-30-54(55)62)56-32-16-26-49-46-24-8-11-28-52(46)65(60(49)56)41-19-5-2-6-20-41;1-2-17-40(18-3-1)64-50-25-8-7-24-47(50)49-37-60(61-38-59(49)64)66-53-28-11-6-23-46(53)48-34-33-43(36-58(48)66)67-42-20-16-19-41(35-42)62-39-63(55-30-13-12-29-54(55)62)56-31-14-15-32-57(56)65-51-26-9-4-21-44(51)45-22-5-10-27-52(45)65;;;/h2-35,38-39H,1H3;2*1-34,37-38H;;;/q3*-2;;;/i2D,4D,5D,14D,17D,18D,19D,20D,35D;;;;;.

What are the key properties of 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum?

3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum has a molecular weight of 3166.28 g/mol, XLogP of 41.90, 22 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-[3-[3-(2-carbazol-9-ylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]-9-phenylpyrido[3,4-b]indole;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]-9-phenylpyrido[3,4-b]indole;9-phenyl-3-[2-[3-[3-(9-phenylcarbazol-1-yl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-id-9-yl]pyrido[3,4-b]indole;platinum is sourced from PubChem (CID 161055831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).