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

C77H78N4OPt-2 — CID 162447279

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

2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (PubChem CID 162447279) has the molecular formula C77H78N4OPt-2 and a molecular weight of 1270.58 g/mol. Its IUPAC name is 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• PubChem CID: 162447279
• Molecular Formula: C77H78N4OPt-2
• Molecular Weight: 1270.58 g/mol
• Exact Mass: 1269.58
• IUPAC Name: 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c(C(C)(C)c3ccccc3)c2C(C)(C)c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C77H78N4O.Pt/c1-72(2,3)57-40-41-78-69(48-57)81-67-39-36-58(75(10,11)54-30-22-17-23-31-54)47-66(67)65-38-37-63(50-68(65)81)82-64-46-60(74(7,8)9)45-62(49-64)80-51-79(61-43-53(52-28-20-16-21-29-52)42-59(44-61)73(4,5)6)70(76(12,13)55-32-24-18-25-33-55)71(80)77(14,15)56-34-26-19-27-35-56;/h16-48H,1-15H3;/q-2
• InChIKey: NSTOJVQLWPEYJH-UHFFFAOYSA-N
• XLogP: 18.97
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 83
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1270.58
LogP ≤ 5	18.97
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-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum (CID 162447279) is 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(Oc2[c-]c3c(cc2)c2cc(C(C)(C)c4ccccc4)ccc2n3-c2cc(C(C)(C)C)ccn2)[c-]c(-n2[c-][n+](-c3cc(-c4ccccc4)cc(C(C)(C)C)c3)c(C(C)(C)c3ccccc3)c2C(C)(C)c2ccccc2)c1.[Pt].

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

The InChIKey is NSTOJVQLWPEYJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C77H78N4O.Pt/c1-72(2,3)57-40-41-78-69(48-57)81-67-39-36-58(75(10,11)54-30-22-17-23-31-54)47-66(67)65-38-37-63(50-68(65)81)82-64-46-60(74(7,8)9)45-62(49-64)80-51-79(61-43-53(52-28-20-16-21-29-52)42-59(44-61)73(4,5)6)70(76(12,13)55-32-24-18-25-33-55)71(80)77(14,15)56-34-26-19-27-35-56;/h16-48H,1-15H3;/q-2;.

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

2-[3-tert-butyl-5-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum has a molecular weight of 1270.58 g/mol, XLogP of 18.97, 12 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-[3-(3-tert-butyl-5-phenylphenyl)-4,5-bis(2-phenylpropan-2-yl)-2H-imidazol-3-ium-2-id-1-yl]benzene-6-id-1-yl]oxy-9-(4-tert-butyl-2-pyridinyl)-6-(2-phenylpropan-2-yl)-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162447279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).