1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine

C28H20N2O2 — CID 4697655

IUPAC1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1)\c1ccc(-c2ccccc2)o1
InChIInChI=1S/C28H20N2O2/c1-3-7-21(8-4-1)27-17-15-25(31-27)19-29-23-11-13-24(14-12-23)30-20-26-16-18-28(32-26)22-9-5-2-6-10-22/h1-20H/b29-19+,30-20+
InChIKeyHQMWHIVMHJDVKW-CZYCKNNWSA-N
MW416.48 g/mol
LogP7.71
Rot. Bonds6

About 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine

1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine (PubChem CID 4697655) has the molecular formula C28H20N2O2 and a molecular weight of 416.48 g/mol. Its IUPAC name is 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine.

Molecular Properties

Compound Name1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine
PubChem CID4697655
Molecular FormulaC28H20N2O2
Molecular Weight416.48 g/mol
Exact Mass416.15
IUPAC Name1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine
SMILESC(=N/c1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1)\c1ccc(-c2ccccc2)o1
InChIInChI=1S/C28H20N2O2/c1-3-7-21(8-4-1)27-17-15-25(31-27)19-29-23-11-13-24(14-12-23)30-20-26-16-18-28(32-26)22-9-5-2-6-10-22/h1-20H/b29-19+,30-20+
InChIKeyHQMWHIVMHJDVKW-CZYCKNNWSA-N
XLogP7.71
TPSA51.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.48
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine?
The IUPAC name of 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine (CID 4697655) is 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine.
What is the SMILES notation for 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine?
The canonical SMILES for 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine is C(=N/c1ccc(/N=C/c2ccc(-c3ccccc3)o2)cc1)\c1ccc(-c2ccccc2)o1.
What is the InChIKey of 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine?
The InChIKey is HQMWHIVMHJDVKW-CZYCKNNWSA-N. The full InChI is InChI=1S/C28H20N2O2/c1-3-7-21(8-4-1)27-17-15-25(31-27)19-29-23-11-13-24(14-12-23)30-20-26-16-18-28(32-26)22-9-5-2-6-10-22/h1-20H/b29-19+,30-20+.
What are the key properties of 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine?
1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine has a molecular weight of 416.48 g/mol, XLogP of 7.71, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenylfuran-2-yl)-N-[4-[(5-phenylfuran-2-yl)methylideneamino]phenyl]methanimine is sourced from PubChem (CID 4697655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).