2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline

C26H25N — CID 87767218

IUPAC2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1/C=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C26H25N/c1-3-27(4-2)26-15-8-7-10-21(26)17-16-20-13-9-14-24-18-22-11-5-6-12-23(22)19-25(20)24/h5-19H,3-4H2,1-2H3/b17-16+
InChIKeyRFRLHOGSGVYOAR-WUKNDPDISA-N
MW351.49 g/mol
LogP7.01
Rot. Bonds5

About 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline

2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline (PubChem CID 87767218) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline.

Molecular Properties

Compound Name2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
PubChem CID87767218
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccccc1/C=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C26H25N/c1-3-27(4-2)26-15-8-7-10-21(26)17-16-20-13-9-14-24-18-22-11-5-6-12-23(22)19-25(20)24/h5-19H,3-4H2,1-2H3/b17-16+
InChIKeyRFRLHOGSGVYOAR-WUKNDPDISA-N
XLogP7.01
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 57.01
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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Related Compounds

1-prop-1-enylanthracene
CID 54542061
1-[(E)-pent-1-enyl]anthracene
CID 173041440
2-[(E)-2-anthracen-1-ylethenyl]aniline
CID 87879813
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
1-penta-1,4-dienylanthracene
CID 173210436
N,N-diethyl-2-[2-[4-[2-(2-methylphenyl)ethenyl]phenyl]ethenyl]aniline
CID 58518822
1-N,1-N,8-N,8-N-tetraethylnaphthalene-1,8-diamine
CID 12673049
N,N-bis(prop-2-enyl)anthracen-1-amine
CID 118977865
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020
2-[2-(diethylamino)phenyl]-N,N-diethylaniline
CID 158417392
1-[2-[(E)-2-phenylethenyl]phenyl]anthracene
CID 22052929

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline?
The IUPAC name of 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline (CID 87767218) is 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline.
What is the SMILES notation for 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline?
The canonical SMILES for 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline is CCN(CC)c1ccccc1/C=C/c1cccc2cc3ccccc3cc12.
What is the InChIKey of 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline?
The InChIKey is RFRLHOGSGVYOAR-WUKNDPDISA-N. The full InChI is InChI=1S/C26H25N/c1-3-27(4-2)26-15-8-7-10-21(26)17-16-20-13-9-14-24-18-22-11-5-6-12-23(22)19-25(20)24/h5-19H,3-4H2,1-2H3/b17-16+.
What are the key properties of 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline?
2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline has a molecular weight of 351.49 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline is sourced from PubChem (CID 87767218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).