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

C67H69N4OPt-3 — CID 164727287

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

2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 164727287) has the molecular formula C67H69N4OPt-3 and a molecular weight of 1150.45 g/mol. Its IUPAC name is 2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164727287
• Molecular Formula: C67H69N4OPt-3
• Molecular Weight: 1150.45 g/mol
• Exact Mass: 1149.57
• IUPAC Name: 2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc(-c7c(C([2H])([2H])[2H])cc(C(C)(C)C)cc7C([2H])([2H])[2H])cc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt]
• InChI: InChI=1S/C67H69N4O.Pt/c1-42-33-62(68-40-57(42)45-23-26-47(27-24-45)64(4,5)6)71-58-22-17-16-21-55(58)56-29-28-54(39-60(56)71)72-53-20-18-19-51(38-53)69-41-70(52-36-49(66(10,11)12)35-50(37-52)67(13,14)15)59-30-25-46(34-61(59)69)63-43(2)31-48(32-44(63)3)65(7,8)9;/h16-37,40-41H,1-15H3;/q-3;/i1D3,2D3,3D3
• InChIKey: UANAHMIIRMGNLA-KYRNGWDOSA-N
• XLogP: 18.43
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1150.45
LogP ≤ 5	18.43
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-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 164727287) is 2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is [2H]C([2H])([2H])c1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6ccc(-c7c(C([2H])([2H])[2H])cc(C(C)(C)C)cc7C([2H])([2H])[2H])cc65)ccc4)ccc3c3ccccc32)ncc1-c1ccc(C(C)(C)C)cc1.[Pt].

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

The InChIKey is UANAHMIIRMGNLA-KYRNGWDOSA-N. The full InChI is InChI=1S/C67H69N4O.Pt/c1-42-33-62(68-40-57(42)45-23-26-47(27-24-45)64(4,5)6)71-58-22-17-16-21-55(58)56-29-28-54(39-60(56)71)72-53-20-18-19-51(38-53)69-41-70(52-36-49(66(10,11)12)35-50(37-52)67(13,14)15)59-30-25-46(34-61(59)69)63-43(2)31-48(32-44(63)3)65(7,8)9;/h16-37,40-41H,1-15H3;/q-3;/i1D3,2D3,3D3;.

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

2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1150.45 g/mol, XLogP of 18.43, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[6-[4-tert-butyl-2,6-bis(trideuteriomethyl)phenyl]-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(4-tert-butylphenyl)-4-(trideuteriomethyl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).