4-[(E)-2-anthracen-9-ylethenyl]benzonitrile

C23H15N — CID 5378650

IUPAC4-[(E)-2-anthracen-9-ylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C23H15N/c24-16-18-11-9-17(10-12-18)13-14-23-21-7-3-1-5-19(21)15-20-6-2-4-8-22(20)23/h1-15H/b14-13+
InChIKeyUEDRVSANLXVHHL-BUHFOSPRSA-N
MW305.38 g/mol
LogP6.04
Rot. Bonds2

About 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile

4-[(E)-2-anthracen-9-ylethenyl]benzonitrile (PubChem CID 5378650) has the molecular formula C23H15N and a molecular weight of 305.38 g/mol. Its IUPAC name is 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-anthracen-9-ylethenyl]benzonitrile
PubChem CID5378650
Molecular FormulaC23H15N
Molecular Weight305.38 g/mol
Exact Mass305.12
IUPAC Name4-[(E)-2-anthracen-9-ylethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C23H15N/c24-16-18-11-9-17(10-12-18)13-14-23-21-7-3-1-5-19(21)15-20-6-2-4-8-22(20)23/h1-15H/b14-13+
InChIKeyUEDRVSANLXVHHL-BUHFOSPRSA-N
XLogP6.04
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.38
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile (CID 5378650) is 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile is N#Cc1ccc(/C=C/c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile?
The InChIKey is UEDRVSANLXVHHL-BUHFOSPRSA-N. The full InChI is InChI=1S/C23H15N/c24-16-18-11-9-17(10-12-18)13-14-23-21-7-3-1-5-19(21)15-20-6-2-4-8-22(20)23/h1-15H/b14-13+.
What are the key properties of 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile?
4-[(E)-2-anthracen-9-ylethenyl]benzonitrile has a molecular weight of 305.38 g/mol, XLogP of 6.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-anthracen-9-ylethenyl]benzonitrile is sourced from PubChem (CID 5378650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).