perylene

Synonyms: "peri-dinaphthalene", "perilene", "dibenz[de,kl]anthracene", "alpha-perylene", "perylen", "dibenz(de,kl)anthracene".

Source: perylene is used as a fluorescent probe for cell biology and cytochemistry.

Identifiers:

IUPAC Name: perylene
CAS Number: 198-55-0
PubChem ID: 9142
InChiKey: CSHWQDPOILHKBI-UHFFFAOYSA-N
Canonical SMILES: C1=CC2=C3C(=C1)C4=CC=CC5=C4C(=CC=C5)C3=CC=C2

Structural Properties:

Molecular Formula: C₂₀H₁₂
Molecular Weight: 252.316

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 0
Number of atoms different from hydrogen: 20

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2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

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Evidence Supporting This Chemical as an Endocrine Disruptor
TEDX List of Potential Endocrine Disruptors

Bigelow SW, Nebert DW. 1982. The Ah regulatory gene product. Survey of nineteen polycyclic aromatic compounds' and fifteen benzo[a]pyrene metabolites' capacity to bind to the cytosolic receptor. Toxicol Lett 10(1):109-118. DOI: 10.1016/0378-4274(82)90276-4. URL: http://www.sciencedirect.com/science/article/pii/0378427482902764.
Tamura H, Ishimoto Y, Fujikawa T, Aoyama H, Yoshikawa H, Akamatsu M. 2006. Structural basis for androgen receptor agonists and antagonists: Interaction of SPEED 98-listed chemicals and related compounds with the androgen receptor based on an in vitro reporter gene assay and 3D-QSAR. Bioorg Med Chem 14(21):7160-7174. DOI: 10.1016/j.bmc.2006.06.064. URL: https://www.sciencedirect.com/science/article/pii/S0968089606005396.