2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum

C63H61N4OPt-3 — CID 162447342

About 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum

2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162447342) has the molecular formula C63H61N4OPt-3 and a molecular weight of 1085.29 g/mol. Its IUPAC name is 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162447342
• Molecular Formula: C63H61N4OPt-3
• Molecular Weight: 1085.29 g/mol
• Exact Mass: 1084.45
• IUPAC Name: 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(-c2ccccc2)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(C(C)(C)C)cc32)c1.[Pt]
• InChI: InChI=1S/C63H61N4O.Pt/c1-60(2,3)45-25-30-56-58(37-45)66(50-34-43(42-19-14-12-15-20-42)33-48(35-50)62(7,8)9)41-65(56)49-23-18-24-51(39-49)68-52-27-28-53-54-36-47(63(10,11)44-21-16-13-17-22-44)26-29-55(54)67(57(53)40-52)59-38-46(31-32-64-59)61(4,5)6;/h12-38,41H,1-11H3;/q-3
• InChIKey: ZSSCRXJXMYOXAO-UHFFFAOYSA-N
• XLogP: 16.86
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1085.29
LogP ≤ 5	16.86
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-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (CID 162447342) is 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(-c2ccccc2)cc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)c6ccccc6)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccc(C(C)(C)C)cc32)c1.[Pt].

What is the InChIKey of 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The InChIKey is ZSSCRXJXMYOXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H61N4O.Pt/c1-60(2,3)45-25-30-56-58(37-45)66(50-34-43(42-19-14-12-15-20-42)33-48(35-50)62(7,8)9)41-65(56)49-23-18-24-51(39-49)68-52-27-28-53-54-36-47(63(10,11)44-21-16-13-17-22-44)26-29-55(54)67(57(53)40-52)59-38-46(31-32-64-59)61(4,5)6;/h12-38,41H,1-11H3;/q-3;.

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

2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1085.29 g/mol, XLogP of 16.86, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-tert-butyl-3-(3-tert-butyl-5-phenylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).