benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))

C80H40F48Mn4N8O16 — CID 139154706

About benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))

benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+)) (PubChem CID 139154706) has the molecular formula C80H40F48Mn4N8O16 and a molecular weight of 2500.90 g/mol. Its IUPAC name is benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+)).

Molecular Properties

• Compound Name: benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))
• PubChem CID: 139154706
• Molecular Formula: C80H40F48Mn4N8O16
• Molecular Weight: 2500.90 g/mol
• Exact Mass: 2499.93
• IUPAC Name: benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))
• SMILES: O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mn+2].[Mn+2].[Mn+2].[Mn+2].c1ccc(-c2nccnc2-c2ccccn2)nc1.c1ccc(-c2nccnc2-c2ccccn2)nc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/2C14H10N4.2C6H6.8C5H2F6O2.4Mn/c2*1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-2-4-6-5-3-1;8*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h2*1-10H;2*1-6H;8*1,12H;;;;/q;;;;;;;;;;;;4*+2/p-8/b;;;;8*2-1-
• InChIKey: YIHCOBHMAONMQR-SUVHEABYSA-F
• XLogP: 15.96
• TPSA: 424.16 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2500.90
LogP ≤ 5	15.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))?

The IUPAC name of benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+)) (CID 139154706) is benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+)).

What is the SMILES notation for benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))?

The canonical SMILES for benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+)) is O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.O=C(/C=C(\[O-])C(F)(F)F)C(F)(F)F.[Mn+2].[Mn+2].[Mn+2].[Mn+2].c1ccc(-c2nccnc2-c2ccccn2)nc1.c1ccc(-c2nccnc2-c2ccccn2)nc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))?

The InChIKey is YIHCOBHMAONMQR-SUVHEABYSA-F. The full InChI is InChI=1S/2C14H10N4.2C6H6.8C5H2F6O2.4Mn/c2*1-3-7-15-11(5-1)13-14(18-10-9-17-13)12-6-2-4-8-16-12;2*1-2-4-6-5-3-1;8*6-4(7,8)2(12)1-3(13)5(9,10)11;;;;/h2*1-10H;2*1-6H;8*1,12H;;;;/q;;;;;;;;;;;;4*+2/p-8/b;;;;8*2-1-;;;;.

What are the key properties of benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+))?

benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+)) has a molecular weight of 2500.90 g/mol, XLogP of 15.96, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;bis(2,3-dipyridin-2-ylpyrazine);octakis((Z)-1,1,1,5,5,5-hexafluoro-4-oxopent-2-en-2-olate);tetrakis(manganese(2+)) is sourced from PubChem (CID 139154706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).