1-ethenylperylene

C22H14 — CID 22173667

IUPAC1-ethenylperylene
SMILESC=Cc1ccc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C22H14/c1-2-14-12-13-16-8-4-10-18-17-9-3-6-15-7-5-11-19(20(15)17)21(14)22(16)18/h2-13H,1H2
InChIKeyIMZNOWXSCHXDLC-UHFFFAOYSA-N
MW278.35 g/mol
LogP6.38
Rot. Bonds1

About 1-ethenylperylene

1-ethenylperylene (PubChem CID 22173667) has the molecular formula C22H14 and a molecular weight of 278.35 g/mol. Its IUPAC name is 1-ethenylperylene.

Molecular Properties

Compound Name1-ethenylperylene
PubChem CID22173667
Molecular FormulaC22H14
Molecular Weight278.35 g/mol
Exact Mass278.11
IUPAC Name1-ethenylperylene
SMILESC=Cc1ccc2cccc3c4cccc5cccc(c1c23)c54
InChIInChI=1S/C22H14/c1-2-14-12-13-16-8-4-10-18-17-9-3-6-15-7-5-11-19(20(15)17)21(14)22(16)18/h2-13H,1H2
InChIKeyIMZNOWXSCHXDLC-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.35
LogP ≤ 56.38
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

1-ethenylpicene
CID 174294618
5-ethenyl-1-methylphenanthrene
CID 156783838
1,2,8-tris(ethenyl)naphthalene
CID 23355506
decacyclo[19.13.1.122,26.02,7.03,20.04,17.05,14.06,11.031,35.030,36]hexatriaconta-1(34),2,4(17),5(14),6(11),7,9,12,15,18,20,22,24,26(36),27,29,31(35),32-octadecaene
CID 14087516
perylene;styrene
CID 174665389
benzo[e]pyrene
CID 9128
4,9-bis(ethenyl)-5,6,7,8-tetramethylidenepicene
CID 144791949
1-chloroperylene;perylene
CID 175592023
undecacyclo[23.13.1.126,30.02,23.03,12.06,11.010,15.013,22.014,19.035,39.034,40]tetraconta-1(38),2,4,6(11),7,9,12,14(19),15,17,20,22,24,26,28,30(40),31,33,35(39),36-icosaene
CID 12771537
heptadecacyclo[28.20.2.22,5.26,9.231,34.110,14.135,39.03,26.04,23.07,22.08,19.027,51.032,47.033,44.048,52.018,56.043,53]hexaconta-1(51),2,4,6,8,10,12,14(56),15,17,19,21,23,25,27,29,31(55),32(47),33(44),34(54),35,37,39(53),40,42,45,48(52),49,57,59-triacontaene
CID 86057292
8-ethenyl-1,2-dimethylnaphthalene
CID 123674776
ethane;4-ethenyl-5-methylphenanthrene
CID 143984038

Frequently Asked Questions

What is the IUPAC name of 1-ethenylperylene?
The IUPAC name of 1-ethenylperylene (CID 22173667) is 1-ethenylperylene.
What is the SMILES notation for 1-ethenylperylene?
The canonical SMILES for 1-ethenylperylene is C=Cc1ccc2cccc3c4cccc5cccc(c1c23)c54.
What is the InChIKey of 1-ethenylperylene?
The InChIKey is IMZNOWXSCHXDLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14/c1-2-14-12-13-16-8-4-10-18-17-9-3-6-15-7-5-11-19(20(15)17)21(14)22(16)18/h2-13H,1H2.
What are the key properties of 1-ethenylperylene?
1-ethenylperylene has a molecular weight of 278.35 g/mol, XLogP of 6.38, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenylperylene is sourced from PubChem (CID 22173667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).