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

C59H45N4OPt-3 — CID 168780515

About 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

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 168780515) has the molecular formula C59H45N4OPt-3 and a molecular weight of 1027.15 g/mol. Its IUPAC name is 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: 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: 168780515
• Molecular Formula: C59H45N4OPt-3
• Molecular Weight: 1027.15 g/mol
• Exact Mass: 1026.36
• IUPAC Name: 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)c2ccccc2n3-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/C59H45N4O.Pt/c1-40-35-57(60-38-52(40)42-19-9-6-10-20-42)63-53-26-12-11-23-50(53)51-34-33-47(37-56(51)63)64-46-22-15-21-45(36-46)61-39-62(55-28-14-13-27-54(55)61)58-48(41-17-7-5-8-18-41)24-16-25-49(58)43-29-31-44(32-30-43)59(2,3)4;/h5-35,38-39H,1-4H3;/q-3;/i1D3,15D,21D,22D
• InChIKey: VIJWODNHWWHHJK-XTCZYAKCSA-N
• XLogP: 15.58
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1027.15
LogP ≤ 5	15.58
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 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 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 168780515) is 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 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 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)c2ccccc2n3-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 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 VIJWODNHWWHHJK-XTCZYAKCSA-N. The full InChI is InChI=1S/C59H45N4O.Pt/c1-40-35-57(60-38-52(40)42-19-9-6-10-20-42)63-53-26-12-11-23-50(53)51-34-33-47(37-56(51)63)64-46-22-15-21-45(36-46)61-39-62(55-28-14-13-27-54(55)61)58-48(41-17-7-5-8-18-41)24-16-25-49(58)43-29-31-44(32-30-43)59(2,3)4;/h5-35,38-39H,1-4H3;/q-3;/i1D3,15D,21D,22D;.

What are the key properties of 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?

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 1027.15 g/mol, XLogP of 15.58, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 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 168780515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).