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

C62H67N4OPt-3 — CID 155652723

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

2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum (PubChem CID 155652723) has the molecular formula C62H67N4OPt-3 and a molecular weight of 1079.32 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 155652723
• Molecular Formula: C62H67N4OPt-3
• Molecular Weight: 1079.32 g/mol
• Exact Mass: 1078.50
• IUPAC Name: 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C62H67N4O.Pt/c1-58(2,3)41-20-18-21-44(33-41)64-39-65(54-25-17-16-24-53(54)64)45-22-19-23-46(37-45)67-47-27-28-48-49-32-40(57-50(61(10,11)12)34-43(60(7,8)9)35-51(57)62(13,14)15)26-29-52(49)66(55(48)38-47)56-36-42(30-31-63-56)59(4,5)6;/h16-36,39H,1-15H3;/q-3
• InChIKey: QRPXOGUQMPNFHA-UHFFFAOYSA-N
• XLogP: 17.13
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1079.32
LogP ≤ 5	17.13
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-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum (CID 155652723) is 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cccc(N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6c(C(C)(C)C)cc(C(C)(C)C)cc6C(C)(C)C)ccc4n5-c4cc(C(C)(C)C)ccn4)ccc3)c3ccccc32)c1.[Pt].

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

The InChIKey is QRPXOGUQMPNFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H67N4O.Pt/c1-58(2,3)41-20-18-21-44(33-41)64-39-65(54-25-17-16-24-53(54)64)45-22-19-23-46(37-45)67-47-27-28-48-49-32-40(57-50(61(10,11)12)34-43(60(7,8)9)35-51(57)62(13,14)15)26-29-52(49)66(55(48)38-47)56-36-42(30-31-63-56)59(4,5)6;/h16-36,39H,1-15H3;/q-3;.

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

2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1079.32 g/mol, XLogP of 17.13, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2,4,6-tritert-butylphenyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 155652723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).