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

C74H81N4OPt-3 — CID 162448241

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

6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162448241) has the molecular formula C74H81N4OPt-3 and a molecular weight of 1237.57 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162448241
• Molecular Formula: C74H81N4OPt-3
• Molecular Weight: 1237.57 g/mol
• Exact Mass: 1236.61
• IUPAC Name: 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C74H81N4O.Pt/c1-48(2)61-29-24-30-62(49(3)4)69(61)67-46-76(57-38-54(71(8,9)10)37-55(39-57)72(11,12)13)47-77(67)58-40-56(74(16,17)51-27-22-19-23-28-51)41-60(44-58)79-59-32-33-63-64-42-52(70(5,6)7)31-34-65(64)78(66(63)45-59)68-43-53(35-36-75-68)73(14,15)50-25-20-18-21-26-50;/h18-43,46-49H,1-17H3;/q-3
• InChIKey: IQHGNPLYOOBOGY-UHFFFAOYSA-N
• XLogP: 19.80
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 12
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1237.57
LogP ≤ 5	19.80
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 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162448241) is 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1C1=CN(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[CH-]N1c1[c-]c(Oc2[c-]c3c(cc2)c2cc(C(C)(C)C)ccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)cc(C(C)(C)c2ccccc2)c1.[Pt].

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

The InChIKey is IQHGNPLYOOBOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H81N4O.Pt/c1-48(2)61-29-24-30-62(49(3)4)69(61)67-46-76(57-38-54(71(8,9)10)37-55(39-57)72(11,12)13)47-77(67)58-40-56(74(16,17)51-27-22-19-23-28-51)41-60(44-58)79-59-32-33-63-64-42-52(70(5,6)7)31-34-65(64)78(66(63)45-59)68-43-53(35-36-75-68)73(14,15)50-25-20-18-21-26-50;/h18-43,46-49H,1-17H3;/q-3;.

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

6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1237.57 g/mol, XLogP of 19.80, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-2-id-1-yl]-5-(2-phenylpropan-2-yl)benzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).