2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline

C21H17N — CID 70405574

IUPAC2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline
SMILESNc1ccccc1/C=C/c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H17N/c22-21-11-4-2-6-16(21)13-12-15-8-5-10-19-18-9-3-1-7-17(18)14-20(15)19/h1-13H,14,22H2/b13-12+
InChIKeyVZAZPHXIHCFNHX-OUKQBFOZSA-N
MW283.37 g/mol
LogP5.01
Rot. Bonds2

About 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline

2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline (PubChem CID 70405574) has the molecular formula C21H17N and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline.

Molecular Properties

Compound Name2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline
PubChem CID70405574
Molecular FormulaC21H17N
Molecular Weight283.37 g/mol
Exact Mass283.14
IUPAC Name2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline
SMILESNc1ccccc1/C=C/c1cccc2c1Cc1ccccc1-2
InChIInChI=1S/C21H17N/c22-21-11-4-2-6-16(21)13-12-15-8-5-10-19-18-9-3-1-7-17(18)14-20(15)19/h1-13H,14,22H2/b13-12+
InChIKeyVZAZPHXIHCFNHX-OUKQBFOZSA-N
XLogP5.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500283.37
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline?
The IUPAC name of 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline (CID 70405574) is 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline.
What is the SMILES notation for 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline?
The canonical SMILES for 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline is Nc1ccccc1/C=C/c1cccc2c1Cc1ccccc1-2.
What is the InChIKey of 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline?
The InChIKey is VZAZPHXIHCFNHX-OUKQBFOZSA-N. The full InChI is InChI=1S/C21H17N/c22-21-11-4-2-6-16(21)13-12-15-8-5-10-19-18-9-3-1-7-17(18)14-20(15)19/h1-13H,14,22H2/b13-12+.
What are the key properties of 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline?
2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline has a molecular weight of 283.37 g/mol, XLogP of 5.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(9H-fluoren-1-yl)ethenyl]aniline is sourced from PubChem (CID 70405574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).