2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C158H121N12Pt3-3 — CID 165038692

About 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 165038692) has the molecular formula C158H121N12Pt3-3 and a molecular weight of 2776.04 g/mol. Its IUPAC name is 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 165038692
• Molecular Formula: C158H121N12Pt3-3
• Molecular Weight: 2776.04 g/mol
• Exact Mass: 2773.90
• IUPAC Name: 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(c4[c-]c(-n5[cH+]n(C(C)(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(c4[c-]c(-n5[cH+]n(C(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4C)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[Pt].[Pt].[Pt]
• InChI: InChI=1S/C54H43N4.C53H41N4.C51H37N4.3Pt/c1-38-18-11-12-25-45(38)39-32-33-55-52(34-39)58-48-27-14-13-26-46(48)47-31-30-43(36-51(47)58)54(40-19-7-5-8-20-40,41-21-9-6-10-22-41)42-23-17-24-44(35-42)56-37-57(53(2,3)4)50-29-16-15-28-49(50)56;1-37(2)55-36-56(50-28-15-14-27-49(50)55)44-23-16-22-42(34-44)53(40-18-6-4-7-19-40,41-20-8-5-9-21-41)43-29-30-47-46-25-12-13-26-48(46)57(51(47)35-43)52-33-39(31-32-54-52)45-24-11-10-17-38(45)3;1-36-16-9-10-23-43(36)37-30-31-52-50(32-37)55-46-25-12-11-24-44(46)45-29-28-41(34-49(45)55)51(38-17-5-3-6-18-38,39-19-7-4-8-20-39)40-21-15-22-42(33-40)54-35-53(2)47-26-13-14-27-48(47)54;;;/h5-34,37H,1-4H3;4-33,36-37H,1-3H3;3-32,35H,1-2H3;;;/q3*-1;;;/i;;2D3
• InChIKey: DONDXGODKANVER-RDXGWQOTSA-N
• XLogP: 37.36
• TPSA: 83.04 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 23
• Heavy Atoms: 173
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2776.04
LogP ≤ 5	37.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 165038692) is 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(c4[c-]c(-n5[cH+]n(C(C)(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.Cc1ccccc1-c1ccnc(-n2c3[c-]c(C(c4[c-]c(-n5[cH+]n(C(C)C)c6ccccc65)ccc4)(c4ccccc4)c4ccccc4)ccc3c3ccccc32)c1.[2H]C([2H])([2H])n1[cH+]n(-c2[c-]c(C(c3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4C)ccn3)(c3ccccc3)c3ccccc3)ccc2)c2ccccc21.[Pt].[Pt].[Pt].

What is the InChIKey of 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is DONDXGODKANVER-RDXGWQOTSA-N. The full InChI is InChI=1S/C54H43N4.C53H41N4.C51H37N4.3Pt/c1-38-18-11-12-25-45(38)39-32-33-55-52(34-39)58-48-27-14-13-26-46(48)47-31-30-43(36-51(47)58)54(40-19-7-5-8-20-40,41-21-9-6-10-22-41)42-23-17-24-44(35-42)56-37-57(53(2,3)4)50-29-16-15-28-49(50)56;1-37(2)55-36-56(50-28-15-14-27-49(50)55)44-23-16-22-42(34-44)53(40-18-6-4-7-19-40,41-20-8-5-9-21-41)43-29-30-47-46-25-12-13-26-48(46)57(51(47)35-43)52-33-39(31-32-54-52)45-24-11-10-17-38(45)3;1-36-16-9-10-23-43(36)37-30-31-52-50(32-37)55-46-25-12-11-24-44(46)45-29-28-41(34-49(45)55)51(38-17-5-3-6-18-38,39-19-7-4-8-20-39)40-21-15-22-42(33-40)54-35-53(2)47-26-13-14-27-48(47)54;;;/h5-34,37H,1-4H3;4-33,36-37H,1-3H3;3-32,35H,1-2H3;;;/q3*-1;;;/i;;2D3;;;.

What are the key properties of 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 2776.04 g/mol, XLogP of 37.36, 23 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[3-(3-tert-butyl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]-diphenylmethyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-(3-propan-2-yl-2H-benzimidazol-2-ylium-1-yl)benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;2-[diphenyl-[3-[3-(trideuteriomethyl)-2H-benzimidazol-2-ylium-1-yl]benzene-2-id-1-yl]methyl]-9-[4-(2-methylphenyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 165038692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).