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

C63H67N4OPt-3 — CID 162447854

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

6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 162447854) has the molecular formula C63H67N4OPt-3 and a molecular weight of 1091.33 g/mol. Its IUPAC name is 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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: 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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: 162447854
• Molecular Formula: C63H67N4OPt-3
• Molecular Weight: 1091.33 g/mol
• Exact Mass: 1090.50
• IUPAC Name: 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)cc(-c3ccccc3)c2)[CH-]N1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[Pt]
• InChI: InChI=1S/C63H67N4O.Pt/c1-59(2,3)45-25-28-55-54(36-45)53-27-26-51(39-56(53)67(55)58-37-46(29-30-64-58)63(13,14)44-23-19-16-20-24-44)68-52-32-43(42-21-17-15-18-22-42)31-49(38-52)65-40-57(62(10,11)12)66(41-65)50-34-47(60(4,5)6)33-48(35-50)61(7,8)9;/h15-37,40-41H,1-14H3;/q-3
• InChIKey: QHOGFNDCSNJBFT-UHFFFAOYSA-N
• XLogP: 16.79
• TPSA: 33.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1091.33
LogP ≤ 5	16.79
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 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 162447854) is 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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)C1=CN(c2[c-]c(Oc3[c-]c4c(cc3)c3cc(C(C)(C)C)ccc3n4-c3cc(C(C)(C)c4ccccc4)ccn3)cc(-c3ccccc3)c2)[CH-]N1c1cc(C(C)(C)C)cc(C(C)(C)C)c1.[Pt].

What is the InChIKey of 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 QHOGFNDCSNJBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H67N4O.Pt/c1-59(2,3)45-25-28-55-54(36-45)53-27-26-51(39-56(53)67(55)58-37-46(29-30-64-58)63(13,14)44-23-19-16-20-24-44)68-52-32-43(42-21-17-15-18-22-42)31-49(38-52)65-40-57(62(10,11)12)66(41-65)50-34-47(60(4,5)6)33-48(35-50)61(7,8)9;/h15-37,40-41H,1-14H3;/q-3;.

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

6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 1091.33 g/mol, XLogP of 16.79, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[3-[4-tert-butyl-3-(3,5-ditert-butylphenyl)-2H-imidazol-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 162447854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).