4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile

C27H20N2O4 — CID 46738525

IUPAC4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
SMILESCC(C)Oc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N
InChIInChI=1S/C27H20N2O4/c1-17(2)32-22-12-11-18-7-3-4-8-19(18)21(22)16-29-27-20(15-28)25(23-9-5-13-30-23)26(33-27)24-10-6-14-31-24/h3-14,16-17H,1-2H3/b29-16+
InChIKeyYAGABWFIBDLYFJ-MUFRIFMGSA-N
MW436.47 g/mol
LogP7.36
Rot. Bonds6

About 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile

4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile (PubChem CID 46738525) has the molecular formula C27H20N2O4 and a molecular weight of 436.47 g/mol. Its IUPAC name is 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile.

Molecular Properties

Compound Name4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
PubChem CID46738525
Molecular FormulaC27H20N2O4
Molecular Weight436.47 g/mol
Exact Mass436.14
IUPAC Name4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile
SMILESCC(C)Oc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N
InChIInChI=1S/C27H20N2O4/c1-17(2)32-22-12-11-18-7-3-4-8-19(18)21(22)16-29-27-20(15-28)25(23-9-5-13-30-23)26(33-27)24-10-6-14-31-24/h3-14,16-17H,1-2H3/b29-16+
InChIKeyYAGABWFIBDLYFJ-MUFRIFMGSA-N
XLogP7.36
TPSA84.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.47
LogP ≤ 57.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile?
The IUPAC name of 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile (CID 46738525) is 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile.
What is the SMILES notation for 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile?
The canonical SMILES for 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile is CC(C)Oc1ccc2ccccc2c1/C=N/c1oc(-c2ccco2)c(-c2ccco2)c1C#N.
What is the InChIKey of 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile?
The InChIKey is YAGABWFIBDLYFJ-MUFRIFMGSA-N. The full InChI is InChI=1S/C27H20N2O4/c1-17(2)32-22-12-11-18-7-3-4-8-19(18)21(22)16-29-27-20(15-28)25(23-9-5-13-30-23)26(33-27)24-10-6-14-31-24/h3-14,16-17H,1-2H3/b29-16+.
What are the key properties of 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile?
4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile has a molecular weight of 436.47 g/mol, XLogP of 7.36, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(furan-2-yl)-2-[(E)-(2-propan-2-yloxynaphthalen-1-yl)methylideneamino]furan-3-carbonitrile is sourced from PubChem (CID 46738525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).