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

C64H61N4OPt-3 — CID 162448648

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

2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (PubChem CID 162448648) has the molecular formula C64H61N4OPt-3 and a molecular weight of 1097.30 g/mol. Its IUPAC name is 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

Molecular Properties

• Compound Name: 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• PubChem CID: 162448648
• Molecular Formula: C64H61N4OPt-3
• Molecular Weight: 1097.30 g/mol
• Exact Mass: 1096.45
• IUPAC Name: 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum
• SMILES: CC(C)(C)c1cc(N2C=C(c3ccccc3)N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)c6ccccc6)ccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)ccc3)[CH-]2)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C64H61N4O.Pt/c1-61(2,3)49-35-50(62(4,5)6)37-52(36-49)66-42-59(44-21-14-11-15-22-44)67(43-66)51-27-20-28-53(40-51)69-54-30-31-55-56-38-47(63(7,8)45-23-16-12-17-24-45)29-32-57(56)68(58(55)41-54)60-39-48(33-34-65-60)64(9,10)46-25-18-13-19-26-46;/h11-39,42-43H,1-10H3;/q-3
• InChIKey: KJUJEROLZOUNGM-UHFFFAOYSA-N
• XLogP: 16.26
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 70
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1097.30
LogP ≤ 5	16.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum?

The IUPAC name of 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum (CID 162448648) is 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum.

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

The canonical SMILES for 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is CC(C)(C)c1cc(N2C=C(c3ccccc3)N(c3[c-]c(Oc4[c-]c5c(cc4)c4cc(C(C)(C)c6ccccc6)ccc4n5-c4cc(C(C)(C)c5ccccc5)ccn4)ccc3)[CH-]2)cc(C(C)(C)C)c1.[Pt].

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

The InChIKey is KJUJEROLZOUNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C64H61N4O.Pt/c1-61(2,3)49-35-50(62(4,5)6)37-52(36-49)66-42-59(44-21-14-11-15-22-44)67(43-66)51-27-20-28-53(40-51)69-54-30-31-55-56-38-47(63(7,8)45-23-16-12-17-24-45)29-32-57(56)68(58(55)41-54)60-39-48(33-34-65-60)64(9,10)46-25-18-13-19-26-46;/h11-39,42-43H,1-10H3;/q-3;.

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

2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum has a molecular weight of 1097.30 g/mol, XLogP of 16.26, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-[3-(3,5-ditert-butylphenyl)-5-phenyl-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]oxy-6-(2-phenylpropan-2-yl)-9-[4-(2-phenylpropan-2-yl)-2-pyridinyl]-1H-carbazol-1-ide;platinum is sourced from PubChem (CID 162448648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).