2-[3-[3-(3-tert-butylphenyl)-4-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

C57H46N4OPt-2 — CID 162448910

About 2-[3-[3-(3-tert-butylphenyl)-4-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-tert-butylphenyl)-4-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 162448910) has the molecular formula C57H46N4OPt-2 and a molecular weight of 998.10 g/mol. Its IUPAC name is 2-[3-[3-(3-tert-butylphenyl)-4-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-tert-butylphenyl)-4-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: 162448910
• Molecular Formula: C57H46N4OPt-2
• Molecular Weight: 998.10 g/mol
• Exact Mass: 997.33
• IUPAC Name: 2-[3-[3-(3-tert-butylphenyl)-4-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)(C)c1cccc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(-c4ccccc4)c3)cc2-c2ccccc2)c1.[Pt]
• InChI: InChI=1S/C57H46N4O.Pt/c1-56(2,3)44-24-17-25-46(34-44)60-39-59(38-54(60)41-20-11-7-12-21-41)47-32-42(40-18-9-6-10-19-40)33-49(36-47)62-48-28-29-51-50-26-15-16-27-52(50)61(53(51)37-48)55-35-45(30-31-58-55)57(4,5)43-22-13-8-14-23-43;/h6-35,38H,1-5H3;/q-2
• InChIKey: IIDVCHSIZXBFBW-UHFFFAOYSA-N
• XLogP: 13.39
• TPSA: 35.86 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 9
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	998.10
LogP ≤ 5	13.39
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-tert-butylphenyl)-4-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-tert-butylphenyl)-4-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 162448910) is 2-[3-[3-(3-tert-butylphenyl)-4-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-tert-butylphenyl)-4-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-tert-butylphenyl)-4-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)(C)c1cccc(-[n+]2[c-]n(-c3[c-]c(Oc4[c-]c5c(cc4)c4ccccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)cc(-c4ccccc4)c3)cc2-c2ccccc2)c1.[Pt].

What is the InChIKey of 2-[3-[3-(3-tert-butylphenyl)-4-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 IIDVCHSIZXBFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H46N4O.Pt/c1-56(2,3)44-24-17-25-46(34-44)60-39-59(38-54(60)41-20-11-7-12-21-41)47-32-42(40-18-9-6-10-19-40)33-49(36-47)62-48-28-29-51-50-26-15-16-27-52(50)61(53(51)37-48)55-35-45(30-31-58-55)57(4,5)43-22-13-8-14-23-43;/h6-35,38H,1-5H3;/q-2;.

What are the key properties of 2-[3-[3-(3-tert-butylphenyl)-4-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-tert-butylphenyl)-4-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 998.10 g/mol, XLogP of 13.39, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3-tert-butylphenyl)-4-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 162448910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).