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

C65H65N4OPt-3 — CID 164727410

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

2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 164727410) has the molecular formula C65H65N4OPt-3 and a molecular weight of 1113.34 g/mol. Its IUPAC name is 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 164727410
• Molecular Formula: C65H65N4OPt-3
• Molecular Weight: 1113.34 g/mol
• Exact Mass: 1112.48
• IUPAC Name: 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6cc(-c7cccc(C(C)(C)C)c7)ccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C65H65N4O.Pt/c1-42-31-61(66-40-56(42)45-20-17-22-47(33-45)63(5,6)7)69-57-26-15-14-25-54(57)55-29-28-53(39-59(55)69)70-52-24-18-23-50(38-52)67-41-68(51-36-48(64(8,9)10)35-49(37-51)65(11,12)13)60-34-44(27-30-58(60)67)43-19-16-21-46(32-43)62(2,3)4;/h14-37,40-41H,1-13H3;/q-3
• InChIKey: XDVNPRWOOALWRX-UHFFFAOYSA-N
• XLogP: 17.81
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 71
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1113.34
LogP ≤ 5	17.81
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-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 164727410) is 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum is Cc1cc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(C(C)(C)C)cc(C(C)(C)C)c6)c6cc(-c7cccc(C(C)(C)C)c7)ccc65)ccc4)ccc3c3ccccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt].

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

The InChIKey is XDVNPRWOOALWRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H65N4O.Pt/c1-42-31-61(66-40-56(42)45-20-17-22-47(33-45)63(5,6)7)69-57-26-15-14-25-54(57)55-29-28-53(39-59(55)69)70-52-24-18-23-50(38-52)67-41-68(51-36-48(64(8,9)10)35-49(37-51)65(11,12)13)60-34-44(27-30-58(60)67)43-19-16-21-46(32-43)62(2,3)4;/h14-37,40-41H,1-13H3;/q-3;.

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

2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1113.34 g/mol, XLogP of 17.81, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(3-tert-butylphenyl)-3-(3,5-ditert-butylphenyl)-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-9-[5-(3-tert-butylphenyl)-4-methyl-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).