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

C37H30N3O2Pt- — CID 176606887

About 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum

6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (PubChem CID 176606887) has the molecular formula C37H30N3O2Pt- and a molecular weight of 743.74 g/mol. Its IUPAC name is 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• PubChem CID: 176606887
• Molecular Formula: C37H30N3O2Pt-
• Molecular Weight: 743.74 g/mol
• Exact Mass: 743.20
• IUPAC Name: 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• SMILES: CCc1cc(O)c2nc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2c1-c1ccccc1.[Pt]
• InChI: InChI=1S/C37H30N3O2.Pt/c1-4-24-20-33(41)37-30(36(24)25-10-6-5-7-11-25)16-17-35(39-37)42-27-14-15-29-28-12-8-9-13-31(28)40(32(29)22-27)34-21-26(23(2)3)18-19-38-34;/h5-21,23,41H,4H2,1-3H3;/q-1
• InChIKey: XVQDPSZMSPAHTG-UHFFFAOYSA-N
• XLogP: 9.38
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	743.74
LogP ≤ 5	9.38
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 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The IUPAC name of 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (CID 176606887) is 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

What is the SMILES notation for 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The canonical SMILES for 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is CCc1cc(O)c2nc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)ccc2c1-c1ccccc1.[Pt].

What is the InChIKey of 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The InChIKey is XVQDPSZMSPAHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H30N3O2.Pt/c1-4-24-20-33(41)37-30(36(24)25-10-6-5-7-11-25)16-17-35(39-37)42-27-14-15-29-28-12-8-9-13-31(28)40(32(29)22-27)34-21-26(23(2)3)18-19-38-34;/h5-21,23,41H,4H2,1-3H3;/q-1;.

What are the key properties of 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum has a molecular weight of 743.74 g/mol, XLogP of 9.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-ethyl-5-phenyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is sourced from PubChem (CID 176606887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).