4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

C44H28N3O2Pt- — CID 176606140

About 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (PubChem CID 176606140) has the molecular formula C44H28N3O2Pt- and a molecular weight of 825.81 g/mol. Its IUPAC name is 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• PubChem CID: 176606140
• Molecular Formula: C44H28N3O2Pt-
• Molecular Weight: 825.81 g/mol
• Exact Mass: 825.18
• IUPAC Name: 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• SMILES: Oc1ccc(-c2ccccc2)c2c(-c3ccccc3)cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)nc12.[Pt]
• InChI: InChI=1S/C44H28N3O2.Pt/c48-40-23-22-34(30-14-6-2-7-15-30)43-37(31-16-8-3-9-17-31)28-42(46-44(40)43)49-33-20-21-36-35-18-10-11-19-38(35)47(39(36)27-33)41-26-32(24-25-45-41)29-12-4-1-5-13-29;/h1-26,28,48H;/q-1
• InChIKey: AYAAIUXIWXRVHE-UHFFFAOYSA-N
• XLogP: 11.02
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	825.81
LogP ≤ 5	11.02
H-Bond Donors ≤ 5	1
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 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The IUPAC name of 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (CID 176606140) is 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

What is the SMILES notation for 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The canonical SMILES for 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is Oc1ccc(-c2ccccc2)c2c(-c3ccccc3)cc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(-c4ccccc4)ccn3)nc12.[Pt].

What is the InChIKey of 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The InChIKey is AYAAIUXIWXRVHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H28N3O2.Pt/c48-40-23-22-34(30-14-6-2-7-15-30)43-37(31-16-8-3-9-17-31)28-42(46-44(40)43)49-33-20-21-36-35-18-10-11-19-38(35)47(39(36)27-33)41-26-32(24-25-45-41)29-12-4-1-5-13-29;/h1-26,28,48H;/q-1;.

What are the key properties of 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum has a molecular weight of 825.81 g/mol, XLogP of 11.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-diphenyl-2-[[9-(4-phenyl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is sourced from PubChem (CID 176606140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).