2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum

C69H62N5OPt-3 — CID 164749873

About 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum (PubChem CID 164749873) has the molecular formula C69H62N5OPt-3 and a molecular weight of 1179.41 g/mol. Its IUPAC name is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164749873
• Molecular Formula: C69H62N5OPt-3
• Molecular Weight: 1179.41 g/mol
• Exact Mass: 1178.51
• IUPAC Name: 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)[c-]c1n2-c1nc2ccccc2n1C([2H])([2H])[2H].[Pt]
• InChI: InChI=1S/C69H62N5O.Pt/c1-67(2,3)48-40-54(45-24-13-11-14-25-45)65(55(41-48)46-26-15-12-16-27-46)73-44-72(61-34-21-22-35-62(61)73)49-38-47(64-56(68(4,5)6)29-23-30-57(64)69(7,8)9)39-51(42-49)75-50-36-37-53-52-28-17-19-32-59(52)74(63(53)43-50)66-70-58-31-18-20-33-60(58)71(66)10;/h11-41,44H,1-10H3;/q-3;/i10D3,17D,19D,28D,32D
• InChIKey: YUHFGJPQHIQQRD-IERVFOQNSA-N
• XLogP: 18.36
• TPSA: 38.46 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1179.41
LogP ≤ 5	18.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum (CID 164749873) is 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c2c(c1[2H])c1ccc(Oc3[c-]c(N4[CH-]N(c5c(-c6ccccc6)cc(C(C)(C)C)cc5-c5ccccc5)c5ccccc54)cc(-c4c(C(C)(C)C)cccc4C(C)(C)C)c3)[c-]c1n2-c1nc2ccccc2n1C([2H])([2H])[2H].[Pt].

What is the InChIKey of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum?

The InChIKey is YUHFGJPQHIQQRD-IERVFOQNSA-N. The full InChI is InChI=1S/C69H62N5O.Pt/c1-67(2,3)48-40-54(45-24-13-11-14-25-45)65(55(41-48)46-26-15-12-16-27-46)73-44-72(61-34-21-22-35-62(61)73)49-38-47(64-56(68(4,5)6)29-23-30-57(64)69(7,8)9)39-51(42-49)75-50-36-37-53-52-28-17-19-32-59(52)74(63(53)43-50)66-70-58-31-18-20-33-60(58)71(66)10;/h11-41,44H,1-10H3;/q-3;/i10D3,17D,19D,28D,32D;.

What are the key properties of 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum?

2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum has a molecular weight of 1179.41 g/mol, XLogP of 18.36, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(4-tert-butyl-2,6-diphenylphenyl)-2H-benzimidazol-2-id-1-yl]-5-(2,6-ditert-butylphenyl)benzene-2-id-1-yl]oxy-5,6,7,8-tetradeuterio-9-[1-(trideuteriomethyl)benzimidazol-2-yl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164749873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).