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

C69H57N4OPt-3 — CID 168780650

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

6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 168780650) has the molecular formula C69H57N4OPt-3 and a molecular weight of 1159.36 g/mol. Its IUPAC name is 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168780650
• Molecular Formula: C69H57N4OPt-3
• Molecular Weight: 1159.36 g/mol
• Exact Mass: 1158.46
• IUPAC Name: 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c(Oc2[c-]c3c(cc2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2n3-c2cc(C([2H])([2H])[2H])c(-c3ccccc3)cn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccc(C(C)(C)C)cc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C69H57N4O.Pt/c1-46-40-66(70-44-61(46)49-20-12-9-13-21-49)73-62-39-32-51(47-28-33-52(34-29-47)68(2,3)4)41-60(62)59-38-37-56(43-65(59)73)74-55-23-16-22-54(42-55)71-45-72(64-27-15-14-26-63(64)71)67-57(48-18-10-8-11-19-48)24-17-25-58(67)50-30-35-53(36-31-50)69(5,6)7;/h8-41,44-45H,1-7H3;/q-3;/i1D3,16D,22D,23D
• InChIKey: GTGVLHXBWSKXNS-IIDKRFAISA-N
• XLogP: 18.55
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 75
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1159.36
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 168780650) is 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]c1c(Oc2[c-]c3c(cc2)c2cc(-c4ccc(C(C)(C)C)cc4)ccc2n3-c2cc(C([2H])([2H])[2H])c(-c3ccccc3)cn2)[c-]c(N2[CH-]N(c3c(-c4ccccc4)cccc3-c3ccc(C(C)(C)C)cc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is GTGVLHXBWSKXNS-IIDKRFAISA-N. The full InChI is InChI=1S/C69H57N4O.Pt/c1-46-40-66(70-44-61(46)49-20-12-9-13-21-49)73-62-39-32-51(47-28-33-52(34-29-47)68(2,3)4)41-60(62)59-38-37-56(43-65(59)73)74-55-23-16-22-54(42-55)71-45-72(64-27-15-14-26-63(64)71)67-57(48-18-10-8-11-19-48)24-17-25-58(67)50-30-35-53(36-31-50)69(5,6)7;/h8-41,44-45H,1-7H3;/q-3;/i1D3,16D,22D,23D;.

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

6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1159.36 g/mol, XLogP of 18.55, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylphenyl)-2-[5-[3-[2-(4-tert-butylphenyl)-6-phenylphenyl]-2H-benzimidazol-2-id-1-yl]-2,3,4-trideuteriobenzene-6-id-1-yl]oxy-9-[5-phenyl-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168780650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).