6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine

C31H19N5O — CID 153411413

About 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine

6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine (PubChem CID 153411413) has the molecular formula C31H19N5O and a molecular weight of 477.53 g/mol. Its IUPAC name is 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine.

Molecular Properties

• Compound Name: 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
• PubChem CID: 153411413
• Molecular Formula: C31H19N5O
• Molecular Weight: 477.53 g/mol
• Exact Mass: 477.16
• IUPAC Name: 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine
• SMILES: c1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6c6ncnn6c5c4)cc32)nc1
• InChI: InChI=1S/C31H19N5O/c1-2-9-26-22(7-1)24-14-12-21(18-29(24)36-31(26)33-19-34-36)37-20-13-15-25-23-8-3-4-10-27(23)35(28(25)17-20)30-11-5-6-16-32-30/h1-19H
• InChIKey: DSKDYLVGAVEXSU-UHFFFAOYSA-N
• XLogP: 7.32
• TPSA: 57.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	477.53
LogP ≤ 5	7.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine?

The IUPAC name of 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine (CID 153411413) is 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine.

What is the SMILES notation for 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine?

The canonical SMILES for 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine is c1ccc(-n2c3ccccc3c3ccc(Oc4ccc5c6ccccc6c6ncnn6c5c4)cc32)nc1.

What is the InChIKey of 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine?

The InChIKey is DSKDYLVGAVEXSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H19N5O/c1-2-9-26-22(7-1)24-14-12-21(18-29(24)36-31(26)33-19-34-36)37-20-13-15-25-23-8-3-4-10-27(23)35(28(25)17-20)30-11-5-6-16-32-30/h1-19H.

What are the key properties of 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine?

6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine has a molecular weight of 477.53 g/mol, XLogP of 7.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(9-pyridin-2-ylcarbazol-2-yl)oxy-[1,2,4]triazolo[1,5-f]phenanthridine is sourced from PubChem (CID 153411413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).