2-[(E)-2-anthracen-1-ylethenyl]aniline

C22H17N — CID 87879813

IUPAC2-[(E)-2-anthracen-1-ylethenyl]aniline
SMILESNc1ccccc1/C=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C22H17N/c23-22-11-4-3-6-17(22)13-12-16-9-5-10-20-14-18-7-1-2-8-19(18)15-21(16)20/h1-15H,23H2/b13-12+
InChIKeyBXFUQXMQGFCUML-OUKQBFOZSA-N
MW295.38 g/mol
LogP5.75
Rot. Bonds2

About 2-[(E)-2-anthracen-1-ylethenyl]aniline

2-[(E)-2-anthracen-1-ylethenyl]aniline (PubChem CID 87879813) has the molecular formula C22H17N and a molecular weight of 295.38 g/mol. Its IUPAC name is 2-[(E)-2-anthracen-1-ylethenyl]aniline.

Molecular Properties

Compound Name2-[(E)-2-anthracen-1-ylethenyl]aniline
PubChem CID87879813
Molecular FormulaC22H17N
Molecular Weight295.38 g/mol
Exact Mass295.14
IUPAC Name2-[(E)-2-anthracen-1-ylethenyl]aniline
SMILESNc1ccccc1/C=C/c1cccc2cc3ccccc3cc12
InChIInChI=1S/C22H17N/c23-22-11-4-3-6-17(22)13-12-16-9-5-10-20-14-18-7-1-2-8-19(18)15-21(16)20/h1-15H,23H2/b13-12+
InChIKeyBXFUQXMQGFCUML-OUKQBFOZSA-N
XLogP5.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.38
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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
2-[(1Z,4E)-5-naphthalen-1-ylpenta-1,4-dienyl]aniline
CID 101480114
3-anthracen-1-ylprop-2-enamide
CID 118453469
3-tetracen-1-ylprop-2-enamide
CID 118453445
1-penta-1,4-dienylanthracene
CID 173210436
2-[(E)-2-anthracen-1-ylethenyl]-N,N-diethylaniline
CID 87767218
1-[(E)-pent-1-enyl]anthracene
CID 173041440
9-(2-naphthalen-1-ylethenyl)anthracene
CID 630261
9-[(E)-2-naphthalen-1-ylethenyl]anthracene
CID 139205427
2-[(E)-2-[4-[(E)-2-(2-aminophenyl)ethenyl]-2,5-dichlorophenyl]ethenyl]aniline
CID 70478273
(NE)-N-(anthracen-1-ylmethylidene)hydroxylamine
CID 12008629
1-[2-[2,4,5-tris(2-naphthalen-1-ylethenyl)phenyl]ethenyl]naphthalene
CID 139835020

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-anthracen-1-ylethenyl]aniline?
The IUPAC name of 2-[(E)-2-anthracen-1-ylethenyl]aniline (CID 87879813) is 2-[(E)-2-anthracen-1-ylethenyl]aniline.
What is the SMILES notation for 2-[(E)-2-anthracen-1-ylethenyl]aniline?
The canonical SMILES for 2-[(E)-2-anthracen-1-ylethenyl]aniline is Nc1ccccc1/C=C/c1cccc2cc3ccccc3cc12.
What is the InChIKey of 2-[(E)-2-anthracen-1-ylethenyl]aniline?
The InChIKey is BXFUQXMQGFCUML-OUKQBFOZSA-N. The full InChI is InChI=1S/C22H17N/c23-22-11-4-3-6-17(22)13-12-16-9-5-10-20-14-18-7-1-2-8-19(18)15-21(16)20/h1-15H,23H2/b13-12+.
What are the key properties of 2-[(E)-2-anthracen-1-ylethenyl]aniline?
2-[(E)-2-anthracen-1-ylethenyl]aniline has a molecular weight of 295.38 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-anthracen-1-ylethenyl]aniline is sourced from PubChem (CID 87879813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).