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

C78H75N4OPt-3 — CID 162447592

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (PubChem CID 162447592) has the molecular formula C78H75N4OPt-3 and a molecular weight of 1279.56 g/mol. Its IUPAC name is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• PubChem CID: 162447592
• Molecular Formula: C78H75N4OPt-3
• Molecular Weight: 1279.56 g/mol
• Exact Mass: 1278.56
• IUPAC Name: 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)c(C(C)(C)C)cc65)cc(C(C)(C)c5ccccc5)c4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt]
• InChI: InChI=1S/C78H75N4O.Pt/c1-74(2,3)58-38-39-79-73(46-58)82-69-37-34-54(52-26-18-14-19-27-52)42-66(69)65-36-35-63(48-70(65)82)83-64-45-60(78(12,13)57-32-24-17-25-33-57)44-62(47-64)81-51-80(71-49-67(75(4,5)6)68(50-72(71)81)76(7,8)9)61-41-55(53-28-20-15-21-29-53)40-59(43-61)77(10,11)56-30-22-16-23-31-56;/h14-46,49-51H,1-13H3;/q-3
• InChIKey: VJXYICSYUSJEMN-UHFFFAOYSA-N
• XLogP: 20.86
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 11
• Heavy Atoms: 84
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1279.56
LogP ≤ 5	20.86
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 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum?

The IUPAC name of 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum (CID 162447592) is 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(N5[CH-]N(c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c6cc(C(C)(C)C)c(C(C)(C)C)cc65)cc(C(C)(C)c5ccccc5)c4)ccc3c3cc(-c4ccccc4)ccc32)c1.[Pt].

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

The InChIKey is VJXYICSYUSJEMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H75N4O.Pt/c1-74(2,3)58-38-39-79-73(46-58)82-69-37-34-54(52-26-18-14-19-27-52)42-66(69)65-36-35-63(48-70(65)82)83-64-45-60(78(12,13)57-32-24-17-25-33-57)44-62(47-64)81-51-80(71-49-67(75(4,5)6)68(50-72(71)81)76(7,8)9)61-41-55(53-28-20-15-21-29-53)40-59(43-61)77(10,11)56-30-22-16-23-31-56;/h14-46,49-51H,1-13H3;/q-3;.

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

9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum has a molecular weight of 1279.56 g/mol, XLogP of 20.86, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4-tert-butyl-2-pyridinyl)-2-[3-[5,6-ditert-butyl-3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-2H-benzimidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-6-phenyl-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).