perylene

C20H12 — CID 9142

IUPACperylene
SMILESc1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12/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/h1-12H
InChIKeyCSHWQDPOILHKBI-UHFFFAOYSA-N
MW252.32 g/mol
LogP5.74
Rot. Bonds

About perylene

perylene (PubChem CID 9142) has the molecular formula C20H12 and a molecular weight of 252.32 g/mol. Its IUPAC name is perylene.

Molecular Properties

Compound Nameperylene
PubChem CID9142
Molecular FormulaC20H12
Molecular Weight252.32 g/mol
Exact Mass252.09
IUPAC Nameperylene
SMILESc1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12/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/h1-12H
InChIKeyCSHWQDPOILHKBI-UHFFFAOYSA-N
XLogP5.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.32
LogP ≤ 55.74
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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Related Compounds

Benzo[a]pyrene
CID 2336
Anthracene
CID 8418
Phenanthrene
CID 995
Pyrene
CID 31423
1-Methylnaphthalene
CID 7002
3-Methylcholanthrene
CID 1674
BENZ(a)ANTHRACENE
CID 5954
Benzo(ghi)perylene
CID 9117
Benzo(E)Pyrene
CID 9128
Indeno(1,2,3-cd)pyrene
CID 9131
Benzo(B)Fluoranthene
CID 9153
Fluoranthene
CID 9154

Frequently Asked Questions

What is the IUPAC name of perylene?
The IUPAC name of perylene (CID 9142) is perylene.
What is the SMILES notation for perylene?
The canonical SMILES for perylene is c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of perylene?
The InChIKey is CSHWQDPOILHKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12/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/h1-12H.
What are the key properties of perylene?
perylene has a molecular weight of 252.32 g/mol, XLogP of 5.74, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for perylene is sourced from PubChem (CID 9142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).