2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum

C71H69N4OPt-3 — CID 164727191

About 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum

2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 164727191) has the molecular formula C71H69N4OPt-3 and a molecular weight of 1189.44 g/mol. Its IUPAC name is 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 164727191
• Molecular Formula: C71H69N4OPt-3
• Molecular Weight: 1189.44 g/mol
• Exact Mass: 1188.51
• IUPAC Name: 2-[3-[5-(4-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]-6-phenyl-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(-c7ccc(C(C)(C)C)cc7)ccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C71H69N4O.Pt/c1-46-35-67(72-44-62(46)51-21-17-22-53(36-51)69(5,6)7)75-63-33-27-49(47-19-15-14-16-20-47)37-61(63)60-32-31-59(43-65(60)75)76-58-24-18-23-56(42-58)73-45-74(57-40-54(70(8,9)10)39-55(41-57)71(11,12)13)66-38-50(28-34-64(66)73)48-25-29-52(30-26-48)68(2,3)4;/h14-41,44-45H,1-13H3;/q-3
• InChIKey: HNXBSHUQGSREGL-UHFFFAOYSA-N
• XLogP: 19.48
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1189.44
LogP ≤ 5	19.48
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-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum (CID 164727191) is 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum.

What is the SMILES notation for 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[5-(4-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]-6-phenyl-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(-c7ccc(C(C)(C)C)cc7)ccc65)ccc4)ccc3c3cc(-c4ccccc4)ccc32)ncc1-c1cccc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum?

The InChIKey is HNXBSHUQGSREGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H69N4O.Pt/c1-46-35-67(72-44-62(46)51-21-17-22-53(36-51)69(5,6)7)75-63-33-27-49(47-19-15-14-16-20-47)37-61(63)60-32-31-59(43-65(60)75)76-58-24-18-23-56(42-58)73-45-74(57-40-54(70(8,9)10)39-55(41-57)71(11,12)13)66-38-50(28-34-64(66)73)48-25-29-52(30-26-48)68(2,3)4;/h14-41,44-45H,1-13H3;/q-3;.

What are the key properties of 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum?

2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1189.44 g/mol, XLogP of 19.48, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[5-(4-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]-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 164727191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).