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

C67H66N4OPt-2 — CID 162448870

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

2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162448870) has the molecular formula C67H66N4OPt-2 and a molecular weight of 1138.37 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162448870
• Molecular Formula: C67H66N4OPt-2
• Molecular Weight: 1138.37 g/mol
• Exact Mass: 1137.49
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-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)c1-c1c[n+](-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[c-]n1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)cc(-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C67H66N4O.Pt/c1-44(2)56-27-21-28-57(45(3)4)64(56)62-42-69(52-37-50(65(5,6)7)36-51(38-52)66(8,9)10)43-70(62)53-34-47(46-22-15-13-16-23-46)35-55(40-53)72-54-30-31-59-58-26-19-20-29-60(58)71(61(59)41-54)63-39-49(32-33-68-63)67(11,12)48-24-17-14-18-25-48;/h13-39,42,44-45H,1-12H3;/q-2
• InChIKey: ZJHFNSJMQODRLM-UHFFFAOYSA-N
• XLogP: 16.94
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1138.37
LogP ≤ 5	16.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162448870) is 2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-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-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-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)c1-c1c[n+](-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)[c-]n1-c1[c-]c(Oc2[c-]c3c(cc2)c2ccccc2n3-c2cc(C(C)(C)c3ccccc3)ccn2)cc(-c2ccccc2)c1.[Pt].

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

The InChIKey is ZJHFNSJMQODRLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C67H66N4O.Pt/c1-44(2)56-27-21-28-57(45(3)4)64(56)62-42-69(52-37-50(65(5,6)7)36-51(38-52)66(8,9)10)43-70(62)53-34-47(46-22-15-13-16-23-46)35-55(40-53)72-54-30-31-59-58-26-19-20-29-60(58)71(61(59)41-54)63-39-49(32-33-68-63)67(11,12)48-24-17-14-18-25-48;/h13-39,42,44-45H,1-12H3;/q-2;.

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

2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1138.37 g/mol, XLogP of 16.94, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-ditert-butylphenyl)-5-[2,6-di(propan-2-yl)phenyl]-2H-imidazol-3-ium-2-id-1-yl]-5-phenylbenzene-2-id-1-yl]oxy-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).