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

C67H66N4OPt-2 — CID 162448948

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (PubChem CID 162448948) has the molecular formula C67H66N4OPt-2 and a molecular weight of 1138.37 g/mol. Its IUPAC name is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162448948
• Molecular Formula: C67H66N4OPt-2
• Molecular Weight: 1138.37 g/mol
• Exact Mass: 1137.49
• IUPAC Name: 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)c5ccccc5)ccc4)cc(C(C)(C)C)c3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C67H66N4O.Pt/c1-63(2,3)49-35-36-68-61(40-49)71-58-34-23-22-33-56(58)62-57(64(4,5)6)42-55(43-59(62)71)72-54-32-24-31-52(41-54)70-45-69(44-60(70)67(11,12)48-29-20-15-21-30-48)53-38-50(65(7,8)46-25-16-13-17-26-46)37-51(39-53)66(9,10)47-27-18-14-19-28-47;/h13-40,42,44H,1-12H3;/q-2
• InChIKey: OXJILSYQVVDICK-UHFFFAOYSA-N
• XLogP: 16.01
• 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	16.01
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-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum (CID 162448948) is 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(C(C)(C)c7ccccc7)cc(C(C)(C)c7ccccc7)c6)cc5C(C)(C)c5ccccc5)ccc4)cc(C(C)(C)C)c3c3ccccc32)c1.[Pt].

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

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

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

2-[3-[3-[3,5-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum has a molecular weight of 1138.37 g/mol, XLogP of 16.01, 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-bis(2-phenylpropan-2-yl)phenyl]-5-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-4-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).