(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile

C18H12N2Te — CID 13159605

IUPAC(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/[Te]/C(=C/C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H12N2Te/c19-13-11-17(15-7-3-1-4-8-15)21-18(12-14-20)16-9-5-2-6-10-16/h1-12H/b17-11+,18-12+
InChIKeyBQEVDFGOQVGWLG-JYFOCSDGSA-N
MW383.91 g/mol
LogP3.82
Rot. Bonds4

About (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile

(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile (PubChem CID 13159605) has the molecular formula C18H12N2Te and a molecular weight of 383.91 g/mol. Its IUPAC name is (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile
PubChem CID13159605
Molecular FormulaC18H12N2Te
Molecular Weight383.91 g/mol
Exact Mass386.01
IUPAC Name(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/[Te]/C(=C/C#N)c1ccccc1)c1ccccc1
InChIInChI=1S/C18H12N2Te/c19-13-11-17(15-7-3-1-4-8-15)21-18(12-14-20)16-9-5-2-6-10-16/h1-12H/b17-11+,18-12+
InChIKeyBQEVDFGOQVGWLG-JYFOCSDGSA-N
XLogP3.82
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.91
LogP ≤ 53.82
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'}

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Related Compounds

benzene;3,3-diphenylprop-2-enenitrile
CID 174934225
lithium [(E)-2-cyano-1-phenylethenyl]azanide
CID 101430283
(Z)-3-cyano-2-phenylprop-2-enoic acid
CID 18415171
(Z)-4-methyl-3-phenylpent-2-enenitrile
CID 23262622
(E)-4-methyl-3-phenylpent-2-enenitrile
CID 13354635
bromo(trifluoro)methane;3,3-diphenylprop-2-enenitrile
CID 174367597
(E)-3-phenoxy-3-phenylprop-2-enenitrile
CID 66560639
(E)-4-methoxy-3-phenylbut-2-enenitrile
CID 103465888
(Z)-3-phenyl-3-propan-2-ylsulfanylprop-2-enenitrile
CID 168744985
(E)-3-phenyl-3-pyrrolidin-1-ylprop-2-enenitrile
CID 10655579
3-ethoxy-3-phenylprop-2-enenitrile
CID 86091715
3,3-bis(phenylsulfanyl)prop-2-enenitrile
CID 14419382

Frequently Asked Questions

What is the IUPAC name of (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile?
The IUPAC name of (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile (CID 13159605) is (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile?
The canonical SMILES for (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile is N#C/C=C(/[Te]/C(=C/C#N)c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile?
The InChIKey is BQEVDFGOQVGWLG-JYFOCSDGSA-N. The full InChI is InChI=1S/C18H12N2Te/c19-13-11-17(15-7-3-1-4-8-15)21-18(12-14-20)16-9-5-2-6-10-16/h1-12H/b17-11+,18-12+.
What are the key properties of (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile?
(E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile has a molecular weight of 383.91 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[(E)-2-cyano-1-phenylethenyl]tellanyl-3-phenylprop-2-enenitrile is sourced from PubChem (CID 13159605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).