2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

C28H17N3O4 — CID 126379631

IUPAC2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1ccccc1COc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C28H17N3O4/c29-15-20-5-1-2-6-21(20)18-34-22-11-9-19(10-12-22)17-31-28-23(16-30)26(24-7-3-13-32-24)27(35-28)25-8-4-14-33-25/h1-14,17H,18H2
InChIKeyDLYBOWCSNRHRKM-UHFFFAOYSA-N
MW459.46 g/mol
LogP6.87
Rot. Bonds7

About 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile

2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (PubChem CID 126379631) has the molecular formula C28H17N3O4 and a molecular weight of 459.46 g/mol. Its IUPAC name is 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
PubChem CID126379631
Molecular FormulaC28H17N3O4
Molecular Weight459.46 g/mol
Exact Mass459.12
IUPAC Name2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
SMILESN#Cc1ccccc1COc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1
InChIInChI=1S/C28H17N3O4/c29-15-20-5-1-2-6-21(20)18-34-22-11-9-19(10-12-22)17-31-28-23(16-30)26(24-7-3-13-32-24)27(35-28)25-8-4-14-33-25/h1-14,17H,18H2
InChIKeyDLYBOWCSNRHRKM-UHFFFAOYSA-N
XLogP6.87
TPSA108.59 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.46
LogP ≤ 56.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-butoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2347116
ethyl 2-[4-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]phenoxy]acetate
CID 126384129
2-[[3-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126379848
2-[[4-[(2,4-dichlorophenyl)methoxy]-3,5-diiodophenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126387863
4,5-bis(furan-2-yl)-2-[[5-(2-nitrophenyl)furan-2-yl]methylideneamino]furan-3-carbonitrile
CID 126384701
2-[5-[[3-cyano-4,5-bis(furan-2-yl)furan-2-yl]iminomethyl]furan-2-yl]benzoic acid
CID 126385016
4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
CID 46738525
4,5-bis(furan-2-yl)-2-[(2-hydroxy-5-nitrophenyl)methylideneamino]furan-3-carbonitrile
CID 137094384
2-[(5-bromo-2-methoxyphenyl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 2358220
2-[(1-benzylindol-3-yl)methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile
CID 126389331
4,5-bis(furan-2-yl)-2-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]furan-3-carbonitrile
CID 126391055
4,5-bis(furan-2-yl)-2-[(E)-(6-methoxy-2,3-diphenyl-1H-indol-5-yl)methylideneamino]furan-3-carbonitrile
CID 10256973

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The IUPAC name of 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile (CID 126379631) is 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile.
What is the SMILES notation for 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The canonical SMILES for 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is N#Cc1ccccc1COc1ccc(C=Nc2oc(-c3ccco3)c(-c3ccco3)c2C#N)cc1.
What is the InChIKey of 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
The InChIKey is DLYBOWCSNRHRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H17N3O4/c29-15-20-5-1-2-6-21(20)18-34-22-11-9-19(10-12-22)17-31-28-23(16-30)26(24-7-3-13-32-24)27(35-28)25-8-4-14-33-25/h1-14,17H,18H2.
What are the key properties of 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile?
2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile has a molecular weight of 459.46 g/mol, XLogP of 6.87, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-4,5-bis(furan-2-yl)furan-3-carbonitrile is sourced from PubChem (CID 126379631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).