3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum

C27H20N5O2Pt- — CID 176606103

About 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum

3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum (PubChem CID 176606103) has the molecular formula C27H20N5O2Pt- and a molecular weight of 641.57 g/mol. Its IUPAC name is 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum.

Molecular Properties

• Compound Name: 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum
• PubChem CID: 176606103
• Molecular Formula: C27H20N5O2Pt-
• Molecular Weight: 641.57 g/mol
• Exact Mass: 641.13
• IUPAC Name: 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum
• SMILES: CN(C)c1ccc(-n2c3[c-]c(Oc4cnc5cccc(O)c5n4)ccc3c3ccccc32)nc1.[Pt]
• InChI: InChI=1S/C27H20N5O2.Pt/c1-31(2)17-10-13-25(29-15-17)32-22-8-4-3-6-19(22)20-12-11-18(14-23(20)32)34-26-16-28-21-7-5-9-24(33)27(21)30-26;/h3-13,15-16,33H,1-2H3;/q-1
• InChIKey: GIEIFENPMOQHNR-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 76.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	641.57
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum?

The IUPAC name of 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum (CID 176606103) is 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum.

What is the SMILES notation for 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum?

The canonical SMILES for 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum is CN(C)c1ccc(-n2c3[c-]c(Oc4cnc5cccc(O)c5n4)ccc3c3ccccc32)nc1.[Pt].

What is the InChIKey of 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum?

The InChIKey is GIEIFENPMOQHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N5O2.Pt/c1-31(2)17-10-13-25(29-15-17)32-22-8-4-3-6-19(22)20-12-11-18(14-23(20)32)34-26-16-28-21-7-5-9-24(33)27(21)30-26;/h3-13,15-16,33H,1-2H3;/q-1;.

What are the key properties of 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum?

3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum has a molecular weight of 641.57 g/mol, XLogP of 5.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[9-[5-(dimethylamino)-2-pyridinyl]-1H-carbazol-1-id-2-yl]oxy]quinoxalin-5-ol;platinum is sourced from PubChem (CID 176606103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).