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

C31H26N3O2Pt- — CID 176606282

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

4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (PubChem CID 176606282) has the molecular formula C31H26N3O2Pt- and a molecular weight of 667.65 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum.

Molecular Properties

• Compound Name: 4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• PubChem CID: 176606282
• Molecular Formula: C31H26N3O2Pt-
• Molecular Weight: 667.65 g/mol
• Exact Mass: 667.17
• IUPAC Name: 4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum
• SMILES: Cc1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C)c12.[Pt]
• InChI: InChI=1S/C31H26N3O2.Pt/c1-18(2)21-13-14-32-28(16-21)34-25-8-6-5-7-23(25)24-11-10-22(17-26(24)34)36-29-15-20(4)30-19(3)9-12-27(35)31(30)33-29;/h5-16,18,35H,1-4H3;/q-1
• InChIKey: VYFOKKLZOHTDCI-UHFFFAOYSA-N
• XLogP: 7.76
• TPSA: 60.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	667.65
LogP ≤ 5	7.76
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-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The IUPAC name of 4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum (CID 176606282) is 4,5-dimethyl-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 4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum?

The canonical SMILES for 4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is Cc1ccc(O)c2nc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3cc(C(C)C)ccn3)cc(C)c12.[Pt].

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

The InChIKey is VYFOKKLZOHTDCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N3O2.Pt/c1-18(2)21-13-14-32-28(16-21)34-25-8-6-5-7-23(25)24-11-10-22(17-26(24)34)36-29-15-20(4)30-19(3)9-12-27(35)31(30)33-29;/h5-16,18,35H,1-4H3;/q-1;.

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

4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum has a molecular weight of 667.65 g/mol, XLogP of 7.76, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4,5-dimethyl-2-[[9-(4-propan-2-yl-2-pyridinyl)-1H-carbazol-1-id-2-yl]oxy]quinolin-8-ol;platinum is sourced from PubChem (CID 176606282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).