2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol

C26H14F4N4O2 — CID 136732180

IUPAC2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol
SMILESOc1c(F)cc(F)cc1/C=N/c1cc2nc3ccccc3nc2cc1/N=C/c1cc(F)cc(F)c1O
InChIInChI=1S/C26H14F4N4O2/c27-15-5-13(25(35)17(29)7-15)11-31-21-9-23-24(34-20-4-2-1-3-19(20)33-23)10-22(21)32-12-14-6-16(28)8-18(30)26(14)36/h1-12,35-36H/b31-11+,32-12+
InChIKeyRQVVIWCUNGSXOU-PHBQLMGTSA-N
MW490.42 g/mol
LogP6.25
Rot. Bonds4

About 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol

2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol (PubChem CID 136732180) has the molecular formula C26H14F4N4O2 and a molecular weight of 490.42 g/mol. Its IUPAC name is 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol.

Molecular Properties

Compound Name2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol
PubChem CID136732180
Molecular FormulaC26H14F4N4O2
Molecular Weight490.42 g/mol
Exact Mass490.11
IUPAC Name2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol
SMILESOc1c(F)cc(F)cc1/C=N/c1cc2nc3ccccc3nc2cc1/N=C/c1cc(F)cc(F)c1O
InChIInChI=1S/C26H14F4N4O2/c27-15-5-13(25(35)17(29)7-15)11-31-21-9-23-24(34-20-4-2-1-3-19(20)33-23)10-22(21)32-12-14-6-16(28)8-18(30)26(14)36/h1-12,35-36H/b31-11+,32-12+
InChIKeyRQVVIWCUNGSXOU-PHBQLMGTSA-N
XLogP6.25
TPSA90.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.42
LogP ≤ 56.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol with MolForge

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Related Compounds

CID 164627095
CID 164627095
CID 135489107
CID 135489107
CID 623730
CID 623730
CID 135426686
CID 135426686
CID 135426687
CID 135426687
CID 58672277
CID 58672277
CID 459143
CID 459143
CID 2838519
CID 2838519
CID 136501078
CID 136501078
CID 136610168
CID 136610168
CID 136649885
CID 136649885
CID 136732194
CID 136732194

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol?
The IUPAC name of 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol (CID 136732180) is 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol.
What is the SMILES notation for 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol?
The canonical SMILES for 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol is Oc1c(F)cc(F)cc1/C=N/c1cc2nc3ccccc3nc2cc1/N=C/c1cc(F)cc(F)c1O.
What is the InChIKey of 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol?
The InChIKey is RQVVIWCUNGSXOU-PHBQLMGTSA-N. The full InChI is InChI=1S/C26H14F4N4O2/c27-15-5-13(25(35)17(29)7-15)11-31-21-9-23-24(34-20-4-2-1-3-19(20)33-23)10-22(21)32-12-14-6-16(28)8-18(30)26(14)36/h1-12,35-36H/b31-11+,32-12+.
What are the key properties of 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol?
2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol has a molecular weight of 490.42 g/mol, XLogP of 6.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(3,5-difluoro-2-hydroxyphenyl)methylideneamino]phenazin-2-yl]iminomethyl]-4,6-difluorophenol is sourced from PubChem (CID 136732180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).