N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum

C176H136N15Pt3-3 — CID 162060872

About N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum

N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum (PubChem CID 162060872) has the molecular formula C176H136N15Pt3-3 and a molecular weight of 3046.36 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum.

Molecular Properties

• Compound Name: N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum
• PubChem CID: 162060872
• Molecular Formula: C176H136N15Pt3-3
• Molecular Weight: 3046.36 g/mol
• Exact Mass: 3044.01
• IUPAC Name: N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum
• SMILES: Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(-n5[cH+]n(C(C)(C)C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(-n5[cH+]n(C(C)C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(-n5[cH+]n(C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C60H48N5.C59H46N5.C57H42N5.3Pt/c1-41-19-16-20-42(2)58(41)45-35-36-61-57(37-45)65-53-30-13-12-27-51(53)52-34-33-48(39-56(52)65)64(59-49(43-21-8-6-9-22-43)28-18-29-50(59)44-23-10-7-11-24-44)47-26-17-25-46(38-47)62-40-63(60(3,4)5)55-32-15-14-31-54(55)62;1-40(2)61-39-62(55-31-14-13-30-54(55)61)46-24-16-25-47(37-46)63(59-49(43-20-7-5-8-21-43)27-17-28-50(59)44-22-9-6-10-23-44)48-32-33-52-51-26-11-12-29-53(51)64(56(52)38-48)57-36-45(34-35-60-57)58-41(3)18-15-19-42(58)4;1-39-17-14-18-40(2)56(39)43-33-34-58-55(35-43)62-51-28-11-10-25-49(51)50-32-31-46(37-54(50)62)61(45-24-15-23-44(36-45)60-38-59(3)52-29-12-13-30-53(52)60)57-47(41-19-6-4-7-20-41)26-16-27-48(57)42-21-8-5-9-22-42;;;/h6-37,40H,1-5H3;5-36,39-40H,1-4H3;4-35,38H,1-3H3;;;/q3*-1
• InChIKey: VLGBDAHXJCCRAF-UHFFFAOYSA-N
• XLogP: 45.55
• TPSA: 92.76 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 25
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3046.36
LogP ≤ 5	45.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

The IUPAC name of N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum (CID 162060872) is N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum.

What is the SMILES notation for N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

The canonical SMILES for N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum is Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(-n5[cH+]n(C(C)(C)C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(-n5[cH+]n(C(C)C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.Cc1cccc(C)c1-c1ccnc(-n2c3[c-]c(N(c4[c-]c(-n5[cH+]n(C)c6ccccc65)ccc4)c4c(-c5ccccc5)cccc4-c4ccccc4)ccc3c3ccccc32)c1.[Pt].[Pt].[Pt].

What is the InChIKey of N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

The InChIKey is VLGBDAHXJCCRAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H48N5.C59H46N5.C57H42N5.3Pt/c1-41-19-16-20-42(2)58(41)45-35-36-61-57(37-45)65-53-30-13-12-27-51(53)52-34-33-48(39-56(52)65)64(59-49(43-21-8-6-9-22-43)28-18-29-50(59)44-23-10-7-11-24-44)47-26-17-25-46(38-47)62-40-63(60(3,4)5)55-32-15-14-31-54(55)62;1-40(2)61-39-62(55-31-14-13-30-54(55)61)46-24-16-25-47(37-46)63(59-49(43-20-7-5-8-21-43)27-17-28-50(59)44-22-9-6-10-23-44)48-32-33-52-51-26-11-12-29-53(51)64(56(52)38-48)57-36-45(34-35-60-57)58-41(3)18-15-19-42(58)4;1-39-17-14-18-40(2)56(39)43-33-34-58-55(35-43)62-51-28-11-10-25-49(51)50-32-31-46(37-54(50)62)61(45-24-15-23-44(36-45)60-38-59(3)52-29-12-13-30-53(52)60)57-47(41-19-6-4-7-20-41)26-16-27-48(57)42-21-8-5-9-22-42;;;/h6-37,40H,1-5H3;5-36,39-40H,1-4H3;4-35,38H,1-3H3;;;/q3*-1;;;.

What are the key properties of N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum?

N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum has a molecular weight of 3046.36 g/mol, XLogP of 45.55, 25 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-methyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;9-[4-(2,6-dimethylphenyl)-2-pyridinyl]-N-(2,6-diphenylphenyl)-N-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-1H-carbazol-1-id-2-amine;platinum is sourced from PubChem (CID 162060872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).