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

C56H60N4OPt-2 — CID 168784479

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

2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 168784479) has the molecular formula C56H60N4OPt-2 and a molecular weight of 1000.20 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 168784479
• Molecular Formula: C56H60N4OPt-2
• Molecular Weight: 1000.20 g/mol
• Exact Mass: 999.44
• IUPAC Name: 2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cccc(C(C)(C)C)c6)cc5C(C)(C)C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt]
• InChI: InChI=1S/C56H60N4O.Pt/c1-36(2)45-21-17-22-46(37(3)4)53(45)38-26-27-57-52(28-38)60-49-23-15-14-20-47(49)48-25-24-43(33-50(48)60)61-44-31-40(55(8,9)10)30-42(32-44)59-35-58(34-51(59)56(11,12)13)41-19-16-18-39(29-41)54(5,6)7;/h14-31,34,36-37H,1-13H3;/q-2
• InChIKey: BDVJXVCSBWDJEE-UHFFFAOYSA-N
• XLogP: 14.24
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1000.20
LogP ≤ 5	14.24
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-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 168784479) is 2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)c1cccc(C(C)C)c1-c1ccnc(-n2c3[c-]c(Oc4[c-]c(-n5[c-][n+](-c6cccc(C(C)(C)C)c6)cc5C(C)(C)C)cc(C(C)(C)C)c4)ccc3c3ccccc32)c1.[Pt].

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

The InChIKey is BDVJXVCSBWDJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H60N4O.Pt/c1-36(2)45-21-17-22-46(37(3)4)53(45)38-26-27-57-52(28-38)60-49-23-15-14-20-47(49)48-25-24-43(33-50(48)60)61-44-31-40(55(8,9)10)30-42(32-44)59-35-58(34-51(59)56(11,12)13)41-19-16-18-39(29-41)54(5,6)7;/h14-31,34,36-37H,1-13H3;/q-2;.

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

2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1000.20 g/mol, XLogP of 14.24, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-tert-butyl-5-[5-tert-butyl-3-(3-tert-butylphenyl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-[4-[2,6-di(propan-2-yl)phenyl]-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 168784479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).