perylene;styrene

C28H20 — CID 174665389

IUPACperylene;styrene
SMILESC=Cc1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C8H8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-8-6-4-3-5-7-8/h1-12H;2-7H,1H2
InChIKeyYGVBQYAMMAMJCF-UHFFFAOYSA-N
MW356.47 g/mol
LogP8.07
Rot. Bonds1

About perylene;styrene

perylene;styrene (PubChem CID 174665389) has the molecular formula C28H20 and a molecular weight of 356.47 g/mol. Its IUPAC name is perylene;styrene.

Molecular Properties

Compound Nameperylene;styrene
PubChem CID174665389
Molecular FormulaC28H20
Molecular Weight356.47 g/mol
Exact Mass356.16
IUPAC Nameperylene;styrene
SMILESC=Cc1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C8H8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-8-6-4-3-5-7-8/h1-12H;2-7H,1H2
InChIKeyYGVBQYAMMAMJCF-UHFFFAOYSA-N
XLogP8.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 58.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of perylene;styrene?
The IUPAC name of perylene;styrene (CID 174665389) is perylene;styrene.
What is the SMILES notation for perylene;styrene?
The canonical SMILES for perylene;styrene is C=Cc1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of perylene;styrene?
The InChIKey is YGVBQYAMMAMJCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C8H8/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-2-8-6-4-3-5-7-8/h1-12H;2-7H,1H2.
What are the key properties of perylene;styrene?
perylene;styrene has a molecular weight of 356.47 g/mol, XLogP of 8.07, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for perylene;styrene is sourced from PubChem (CID 174665389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).