4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile

C21H25GeN — CID 102027341

IUPAC4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile
SMILESCC[Ge](/C=C(\c1ccccc1)c1ccc(C#N)cc1)(CC)CC
InChIInChI=1S/C21H25GeN/c1-4-22(5-2,6-3)16-21(19-10-8-7-9-11-19)20-14-12-18(17-23)13-15-20/h7-16H,4-6H2,1-3H3/b21-16+
InChIKeyAGZPGYKIMUZNOV-LTGZKZEYSA-N
MW364.05 g/mol
LogP6.04
Rot. Bonds6

About 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile

4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile (PubChem CID 102027341) has the molecular formula C21H25GeN and a molecular weight of 364.05 g/mol. Its IUPAC name is 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile
PubChem CID102027341
Molecular FormulaC21H25GeN
Molecular Weight364.05 g/mol
Exact Mass365.12
IUPAC Name4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile
SMILESCC[Ge](/C=C(\c1ccccc1)c1ccc(C#N)cc1)(CC)CC
InChIInChI=1S/C21H25GeN/c1-4-22(5-2,6-3)16-21(19-10-8-7-9-11-19)20-14-12-18(17-23)13-15-20/h7-16H,4-6H2,1-3H3/b21-16+
InChIKeyAGZPGYKIMUZNOV-LTGZKZEYSA-N
XLogP6.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.05
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile?
The IUPAC name of 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile (CID 102027341) is 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile is CC[Ge](/C=C(\c1ccccc1)c1ccc(C#N)cc1)(CC)CC.
What is the InChIKey of 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile?
The InChIKey is AGZPGYKIMUZNOV-LTGZKZEYSA-N. The full InChI is InChI=1S/C21H25GeN/c1-4-22(5-2,6-3)16-21(19-10-8-7-9-11-19)20-14-12-18(17-23)13-15-20/h7-16H,4-6H2,1-3H3/b21-16+.
What are the key properties of 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile?
4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile has a molecular weight of 364.05 g/mol, XLogP of 6.04, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-phenyl-2-triethylgermylethenyl]benzonitrile is sourced from PubChem (CID 102027341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).