(2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile

C20H14N2Se — CID 178066109

IUPAC(2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile
SMILESN#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccccc2)c[se]1
InChIInChI=1S/C20H14N2Se/c21-14-18(13-7-10-16-8-3-1-4-9-16)20-22-19(15-23-20)17-11-5-2-6-12-17/h1-13,15H/b10-7+,18-13+
InChIKeyFIVLKTNNICEZJM-CVUDBVLYSA-N
MW361.31 g/mol
LogP4.43
Rot. Bonds4

About (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile

(2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile (PubChem CID 178066109) has the molecular formula C20H14N2Se and a molecular weight of 361.31 g/mol. Its IUPAC name is (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile
PubChem CID178066109
Molecular FormulaC20H14N2Se
Molecular Weight361.31 g/mol
Exact Mass362.03
IUPAC Name(2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile
SMILESN#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccccc2)c[se]1
InChIInChI=1S/C20H14N2Se/c21-14-18(13-7-10-16-8-3-1-4-9-16)20-22-19(15-23-20)17-11-5-2-6-12-17/h1-13,15H/b10-7+,18-13+
InChIKeyFIVLKTNNICEZJM-CVUDBVLYSA-N
XLogP4.43
TPSA36.68 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.31
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile?
The IUPAC name of (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile (CID 178066109) is (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile.
What is the SMILES notation for (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile?
The canonical SMILES for (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile is N#C/C(=C\C=C\c1ccccc1)c1nc(-c2ccccc2)c[se]1.
What is the InChIKey of (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile?
The InChIKey is FIVLKTNNICEZJM-CVUDBVLYSA-N. The full InChI is InChI=1S/C20H14N2Se/c21-14-18(13-7-10-16-8-3-1-4-9-16)20-22-19(15-23-20)17-11-5-2-6-12-17/h1-13,15H/b10-7+,18-13+.
What are the key properties of (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile?
(2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile has a molecular weight of 361.31 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-phenyl-2-(4-phenyl-1,3-selenazol-2-yl)penta-2,4-dienenitrile is sourced from PubChem (CID 178066109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).