2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

C79H68N4OPt-2 — CID 171428203

About 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum

2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 171428203) has the molecular formula C79H68N4OPt-2 and a molecular weight of 1297.60 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 171428203
• Molecular Formula: C79H68N4OPt-2
• Molecular Weight: 1297.60 g/mol
• Exact Mass: 1296.59
• IUPAC Name: 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(C(C)(C)C)c3)c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C([2H])([2H])[2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cn5)ccc4)c4cc(-c5ccc(C(C)(C)C)cc5)ccc43)c(-c3cccc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C79H68N4O.Pt/c1-52-42-75(80-50-70(52)55-24-15-12-16-25-55)83-71-33-18-17-32-66(71)67-40-39-65(49-73(67)83)84-64-31-21-30-63(48-64)81-51-82(72-41-36-56(47-74(72)81)54-34-37-60(38-35-54)77(2,3)4)76-68(57-26-19-28-61(43-57)78(5,6)7)45-59(53-22-13-11-14-23-53)46-69(76)58-27-20-29-62(44-58)79(8,9)10;/h11-47,50H,1-10H3;/q-2;/i1D3,11D,12D,13D,14D,15D,16D,22D,23D,24D,25D
• InChIKey: GDFAVLVJDSRACK-ZFAFKSMOSA-N
• XLogP: 20.13
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1297.60
LogP ≤ 5	20.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 171428203) is 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cc(-c3cccc(C(C)(C)C)c3)c(-[n+]3[c-]n(-c4[c-]c(Oc5[c-]c6c(cc5)c5ccccc5n6-c5cc(C([2H])([2H])[2H])c(-c6c([2H])c([2H])c([2H])c([2H])c6[2H])cn5)ccc4)c4cc(-c5ccc(C(C)(C)C)cc5)ccc43)c(-c3cccc(C(C)(C)C)c3)c2)c([2H])c1[2H].[Pt].

What is the InChIKey of 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The InChIKey is GDFAVLVJDSRACK-ZFAFKSMOSA-N. The full InChI is InChI=1S/C79H68N4O.Pt/c1-52-42-75(80-50-70(52)55-24-15-12-16-25-55)83-71-33-18-17-32-66(71)67-40-39-65(49-73(67)83)84-64-31-21-30-63(48-64)81-51-82(72-41-36-56(47-74(72)81)54-34-37-60(38-35-54)77(2,3)4)76-68(57-26-19-28-61(43-57)78(5,6)7)45-59(53-22-13-11-14-23-53)46-69(76)58-27-20-29-62(44-58)79(8,9)10;/h11-47,50H,1-10H3;/q-2;/i1D3,11D,12D,13D,14D,15D,16D,22D,23D,24D,25D;.

What are the key properties of 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1297.60 g/mol, XLogP of 20.13, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(3-tert-butylphenyl)-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-6-(4-tert-butylphenyl)-2H-benzimidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(2,3,4,5,6-pentadeuteriophenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 171428203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).