2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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

C62H65N4OPt-3 — CID 162449013

About 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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

2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 162449013) has the molecular formula C62H65N4OPt-3 and a molecular weight of 1077.31 g/mol. Its IUPAC name is 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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: 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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: 162449013
• Molecular Formula: C62H65N4OPt-3
• Molecular Weight: 1077.31 g/mol
• Exact Mass: 1076.48
• IUPAC Name: 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)cc(C(C)(C)c3ccccc3)c2)[CH-]N1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C62H65N4O.Pt/c1-58(2,3)45-32-46(59(4,5)6)34-49(33-45)65-41-64(40-56(65)60(7,8)9)48-35-47(62(12,13)43-24-18-15-19-25-43)36-51(38-48)67-50-28-29-53-52-26-20-21-27-54(52)66(55(53)39-50)57-37-44(30-31-63-57)61(10,11)42-22-16-14-17-23-42;/h14-37,40-41H,1-13H3;/q-3
• InChIKey: WZTKPBWFVLBHJI-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 9
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1077.31
LogP ≤ 5	16.15
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-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 162449013) is 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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)(C)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)cc(C(C)(C)c3ccccc3)c2)[CH-]N1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 WZTKPBWFVLBHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H65N4O.Pt/c1-58(2,3)45-32-46(59(4,5)6)34-49(33-45)65-41-64(40-56(65)60(7,8)9)48-35-47(62(12,13)43-24-18-15-19-25-43)36-51(38-48)67-50-28-29-53-52-26-20-21-27-54(52)66(55(53)39-50)57-37-44(30-31-63-57)61(10,11)42-22-16-14-17-23-42;/h14-37,40-41H,1-13H3;/q-3;.

What are the key properties of 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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?

2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 1077.31 g/mol, XLogP of 16.15, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-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 162449013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).