2-(2-ethenylphenyl)pyrene

C24H16 — CID 22250688

IUPAC2-(2-ethenylphenyl)pyrene
SMILESC=Cc1ccccc1-c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C24H16/c1-2-16-6-3-4-9-22(16)21-14-19-12-10-17-7-5-8-18-11-13-20(15-21)24(19)23(17)18/h2-15H,1H2
InChIKeyBYRAGUDSEGDHGM-UHFFFAOYSA-N
MW304.39 g/mol
LogP6.89
Rot. Bonds2

About 2-(2-ethenylphenyl)pyrene

2-(2-ethenylphenyl)pyrene (PubChem CID 22250688) has the molecular formula C24H16 and a molecular weight of 304.39 g/mol. Its IUPAC name is 2-(2-ethenylphenyl)pyrene.

Molecular Properties

Compound Name2-(2-ethenylphenyl)pyrene
PubChem CID22250688
Molecular FormulaC24H16
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC Name2-(2-ethenylphenyl)pyrene
SMILESC=Cc1ccccc1-c1cc2ccc3cccc4ccc(c1)c2c34
InChIInChI=1S/C24H16/c1-2-16-6-3-4-9-22(16)21-14-19-12-10-17-7-5-8-18-11-13-20(15-21)24(19)23(17)18/h2-15H,1H2
InChIKeyBYRAGUDSEGDHGM-UHFFFAOYSA-N
XLogP6.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.39
LogP ≤ 56.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethenylphenyl)pyrene?
The IUPAC name of 2-(2-ethenylphenyl)pyrene (CID 22250688) is 2-(2-ethenylphenyl)pyrene.
What is the SMILES notation for 2-(2-ethenylphenyl)pyrene?
The canonical SMILES for 2-(2-ethenylphenyl)pyrene is C=Cc1ccccc1-c1cc2ccc3cccc4ccc(c1)c2c34.
What is the InChIKey of 2-(2-ethenylphenyl)pyrene?
The InChIKey is BYRAGUDSEGDHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16/c1-2-16-6-3-4-9-22(16)21-14-19-12-10-17-7-5-8-18-11-13-20(15-21)24(19)23(17)18/h2-15H,1H2.
What are the key properties of 2-(2-ethenylphenyl)pyrene?
2-(2-ethenylphenyl)pyrene has a molecular weight of 304.39 g/mol, XLogP of 6.89, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethenylphenyl)pyrene is sourced from PubChem (CID 22250688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).