2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione

C22H15NO2 — CID 175395757

IUPAC2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
SMILESNc1ccc(C=Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C22H15NO2/c23-16-10-7-14(8-11-16)5-6-15-9-12-19-20(13-15)22(25)18-4-2-1-3-17(18)21(19)24/h1-13H,23H2
InChIKeyXUPVPPIKNQRQCU-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.21
Rot. Bonds2

About 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione

2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione (PubChem CID 175395757) has the molecular formula C22H15NO2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione.

Molecular Properties

Compound Name2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
PubChem CID175395757
Molecular FormulaC22H15NO2
Molecular Weight325.37 g/mol
Exact Mass325.11
IUPAC Name2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione
SMILESNc1ccc(C=Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C22H15NO2/c23-16-10-7-14(8-11-16)5-6-15-9-12-19-20(13-15)22(25)18-4-2-1-3-17(18)21(19)24/h1-13H,23H2
InChIKeyXUPVPPIKNQRQCU-UHFFFAOYSA-N
XLogP4.21
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-2-(4-methylphenyl)ethenyl]anthracene-9,10-dione
CID 15152091
2-[2-(2-hydroxyphenyl)ethenyl]anthracene-9,10-dione
CID 175395708
2-(4-aminobut-1-enyl)fluoren-9-one
CID 170487895
4-(2-phenylethenyl)aniline
CID 13265
2,7-bis[(E)-2-pyridin-4-ylethenyl]fluoren-9-one
CID 15888532
2-[(E)-2-(2-nitrophenyl)ethenyl]anthracene-9,10-dione
CID 175395824
2-(4-sulfanylbut-1-enyl)fluoren-9-one
CID 170479323
4-[2-(9,9-dimethylfluoren-2-yl)ethenyl]aniline
CID 72540036
2-(4-hydroxybut-1-enyl)fluoren-9-one
CID 170477537
2-[2-(5-phenylfuran-2-yl)ethenyl]anthracene-9,10-dione
CID 3292612
2-(4-aminophenyl)-10-ethylideneanthracen-9-one
CID 121306780
CID 158261979
CID 158261979

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione?
The IUPAC name of 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione (CID 175395757) is 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione.
What is the SMILES notation for 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione?
The canonical SMILES for 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione is Nc1ccc(C=Cc2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione?
The InChIKey is XUPVPPIKNQRQCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO2/c23-16-10-7-14(8-11-16)5-6-15-9-12-19-20(13-15)22(25)18-4-2-1-3-17(18)21(19)24/h1-13H,23H2.
What are the key properties of 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione?
2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione has a molecular weight of 325.37 g/mol, XLogP of 4.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-aminophenyl)ethenyl]anthracene-9,10-dione is sourced from PubChem (CID 175395757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).