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

C64H60N4OPt-2 — CID 162447646

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (PubChem CID 162447646) has the molecular formula C64H60N4OPt-2 and a molecular weight of 1096.29 g/mol. Its IUPAC name is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• PubChem CID: 162447646
• Molecular Formula: C64H60N4OPt-2
• Molecular Weight: 1096.29 g/mol
• Exact Mass: 1095.44
• IUPAC Name: 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c(C(C)(C)c6ccccc6)c5)ccc4)ccc3c3cc(C(C)(C)C)ccc32)c1.[Pt]
• InChI: InChI=1S/C64H60N4O.Pt/c1-61(2,3)48-29-32-57-56(38-48)55-31-30-54(41-58(55)68(57)60-39-49(33-34-65-60)62(4,5)6)69-53-28-20-27-51(40-53)66-42-59(64(9,10)47-25-18-13-19-26-47)67(43-66)52-36-45(44-21-14-11-15-22-44)35-50(37-52)63(7,8)46-23-16-12-17-24-46;/h11-39,42H,1-10H3;/q-2
• InChIKey: JJDUXZQWSHCQML-UHFFFAOYSA-N
• XLogP: 15.35
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1096.29
LogP ≤ 5	15.35
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 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum?

The IUPAC name of 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum (CID 162447646) is 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is CC(C)(C)c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cc(-c7ccccc7)cc(C(C)(C)c7ccccc7)c6)c(C(C)(C)c6ccccc6)c5)ccc4)ccc3c3cc(C(C)(C)C)ccc32)c1.[Pt].

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

The InChIKey is JJDUXZQWSHCQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H60N4O.Pt/c1-61(2,3)48-29-32-57-56(38-48)55-31-30-54(41-58(55)68(57)60-39-49(33-34-65-60)62(4,5)6)69-53-28-20-27-51(40-53)66-42-59(64(9,10)47-25-18-13-19-26-47)67(43-66)52-36-45(44-21-14-11-15-22-44)35-50(37-52)63(7,8)46-23-16-12-17-24-46;/h11-39,42H,1-10H3;/q-2;.

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

6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum has a molecular weight of 1096.29 g/mol, XLogP of 15.35, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)-2-[3-[3-[3-phenyl-5-(2-phenylpropan-2-yl)phenyl]-4-(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-2-id-1-yl]oxy-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).