8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)

C31H16FN5OPt — CID 153411656

About 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)

8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) (PubChem CID 153411656) has the molecular formula C31H16FN5OPt and a molecular weight of 688.58 g/mol. Its IUPAC name is 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+).

Molecular Properties

• Compound Name: 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
• PubChem CID: 153411656
• Molecular Formula: C31H16FN5OPt
• Molecular Weight: 688.58 g/mol
• Exact Mass: 688.10
• IUPAC Name: 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)
• SMILES: Fc1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1ncnn21.[Pt+2]
• InChI: InChI=1S/C31H16FN5O.Pt/c32-25-7-5-9-27-30(25)23-14-12-19(16-24(23)31-34-18-35-37(27)31)38-20-11-13-22-21-6-1-2-8-26(21)36(28(22)17-20)29-10-3-4-15-33-29;/h1-15,18H;/q-2;+2
• InChIKey: GFLJEMVZINLYHA-UHFFFAOYSA-N
• XLogP: 7.06
• TPSA: 57.24 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	688.58
LogP ≤ 5	7.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

The IUPAC name of 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) (CID 153411656) is 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+).

What is the SMILES notation for 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

The canonical SMILES for 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) is Fc1cccc2c1c1ccc(Oc3[c-]c4c(cc3)c3ccccc3n4-c3ccccn3)[c-]c1c1ncnn21.[Pt+2].

What is the InChIKey of 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

The InChIKey is GFLJEMVZINLYHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H16FN5O.Pt/c32-25-7-5-9-27-30(25)23-14-12-19(16-24(23)31-34-18-35-37(27)31)38-20-11-13-22-21-6-1-2-8-26(21)36(28(22)17-20)29-10-3-4-15-33-29;/h1-15,18H;/q-2;+2.

What are the key properties of 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+)?

8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) has a molecular weight of 688.58 g/mol, XLogP of 7.06, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-fluoro-11-[(9-pyridin-2-yl-1H-carbazol-1-id-2-yl)oxy]-12H-[1,2,4]triazolo[1,5-f]phenanthridin-12-ide;platinum(2+) is sourced from PubChem (CID 153411656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).