(2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile

C25H21N3O2 — CID 130183151

IUPAC(2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile
SMILESC/C(C#N)=C/C=C/c1ccc(-c2ccc(-c3ccc(/C=C/C=C(/C)C#N)o3)n2C)o1
InChIInChI=1S/C25H21N3O2/c1-18(16-26)6-4-8-20-10-14-24(29-20)22-12-13-23(28(22)3)25-15-11-21(30-25)9-5-7-19(2)17-27/h4-15H,1-3H3/b8-4+,9-5+,18-6-,19-7-
InChIKeyGNIFKWUKKYKELT-VSSHSNHWSA-N
MW395.46 g/mol
LogP6.51
Rot. Bonds6

About (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile

(2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile (PubChem CID 130183151) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile
PubChem CID130183151
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name(2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile
SMILESC/C(C#N)=C/C=C/c1ccc(-c2ccc(-c3ccc(/C=C/C=C(/C)C#N)o3)n2C)o1
InChIInChI=1S/C25H21N3O2/c1-18(16-26)6-4-8-20-10-14-24(29-20)22-12-13-23(28(22)3)25-15-11-21(30-25)9-5-7-19(2)17-27/h4-15H,1-3H3/b8-4+,9-5+,18-6-,19-7-
InChIKeyGNIFKWUKKYKELT-VSSHSNHWSA-N
XLogP6.51
TPSA78.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile (CID 130183151) is (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile is C/C(C#N)=C/C=C/c1ccc(-c2ccc(-c3ccc(/C=C/C=C(/C)C#N)o3)n2C)o1.
What is the InChIKey of (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile?
The InChIKey is GNIFKWUKKYKELT-VSSHSNHWSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-18(16-26)6-4-8-20-10-14-24(29-20)22-12-13-23(28(22)3)25-15-11-21(30-25)9-5-7-19(2)17-27/h4-15H,1-3H3/b8-4+,9-5+,18-6-,19-7-.
What are the key properties of (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile?
(2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile has a molecular weight of 395.46 g/mol, XLogP of 6.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-5-[5-[5-[5-[(1E,3Z)-4-cyanopenta-1,3-dienyl]furan-2-yl]-1-methylpyrrol-2-yl]furan-2-yl]-2-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 130183151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).