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

C62H51N4OPt-3 — CID 153490618

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (PubChem CID 153490618) has the molecular formula C62H51N4OPt-3 and a molecular weight of 1073.26 g/mol. Its IUPAC name is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• PubChem CID: 153490618
• Molecular Formula: C62H51N4OPt-3
• Molecular Weight: 1073.26 g/mol
• Exact Mass: 1072.44
• IUPAC Name: 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum
• SMILES: [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc4n5-c4ccccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt]
• InChI: InChI=1S/C62H51N4O.Pt/c1-61(2,3)46-35-45(36-47(38-46)62(4,5)6)44-30-33-55-54(37-44)53-32-31-50(40-58(53)66(55)59-29-15-16-34-63-59)67-49-24-17-23-48(39-49)64-41-65(57-28-14-13-27-56(57)64)60-51(42-19-9-7-10-20-42)25-18-26-52(60)43-21-11-8-12-22-43;/h7-38,41H,1-6H3;/q-3;/i7D,8D,9D,10D,11D,12D,19D,20D,21D,22D
• InChIKey: AFKKAGQWROPCSV-AEZNZPQPSA-N
• XLogP: 16.57
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1073.26
LogP ≤ 5	16.57
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-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum (CID 153490618) is 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is [2H]c1c([2H])c([2H])c(-c2cccc(-c3c([2H])c([2H])c([2H])c([2H])c3[2H])c2N2[CH-]N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(-c6cc(C(C)(C)C)cc(C(C)(C)C)c6)ccc4n5-c4ccccn4)ccc3)c3ccccc32)c([2H])c1[2H].[Pt].

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

The InChIKey is AFKKAGQWROPCSV-AEZNZPQPSA-N. The full InChI is InChI=1S/C62H51N4O.Pt/c1-61(2,3)46-35-45(36-47(38-46)62(4,5)6)44-30-33-55-54(37-44)53-32-31-50(40-58(53)66(55)59-29-15-16-34-63-59)67-49-24-17-23-48(39-49)64-41-65(57-28-14-13-27-56(57)64)60-51(42-19-9-7-10-20-42)25-18-26-52(60)43-21-11-8-12-22-43;/h7-38,41H,1-6H3;/q-3;/i7D,8D,9D,10D,11D,12D,19D,20D,21D,22D;.

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

2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum has a molecular weight of 1073.26 g/mol, XLogP of 16.57, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-[2,6-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]-2H-benzimidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(3,5-ditert-butylphenyl)-9-pyridin-2-yl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 153490618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).