1-[2-(2-chlorophenyl)ethenyl]pyrene

C24H15Cl — CID 71329845

IUPAC1-[2-(2-chlorophenyl)ethenyl]pyrene
SMILESClc1ccccc1C=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C24H15Cl/c25-22-7-2-1-4-17(22)10-8-16-9-11-20-13-12-18-5-3-6-19-14-15-21(16)24(20)23(18)19/h1-15H
InChIKeyCTRNDPUTRIXFSY-UHFFFAOYSA-N
MW338.84 g/mol
LogP7.41
Rot. Bonds2

About 1-[2-(2-chlorophenyl)ethenyl]pyrene

1-[2-(2-chlorophenyl)ethenyl]pyrene (PubChem CID 71329845) has the molecular formula C24H15Cl and a molecular weight of 338.84 g/mol. Its IUPAC name is 1-[2-(2-chlorophenyl)ethenyl]pyrene.

Molecular Properties

Compound Name1-[2-(2-chlorophenyl)ethenyl]pyrene
PubChem CID71329845
Molecular FormulaC24H15Cl
Molecular Weight338.84 g/mol
Exact Mass338.09
IUPAC Name1-[2-(2-chlorophenyl)ethenyl]pyrene
SMILESClc1ccccc1C=Cc1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C24H15Cl/c25-22-7-2-1-4-17(22)10-8-16-9-11-20-13-12-18-5-3-6-19-14-15-21(16)24(20)23(18)19/h1-15H
InChIKeyCTRNDPUTRIXFSY-UHFFFAOYSA-N
XLogP7.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.84
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenyl)ethenyl]pyrene?
The IUPAC name of 1-[2-(2-chlorophenyl)ethenyl]pyrene (CID 71329845) is 1-[2-(2-chlorophenyl)ethenyl]pyrene.
What is the SMILES notation for 1-[2-(2-chlorophenyl)ethenyl]pyrene?
The canonical SMILES for 1-[2-(2-chlorophenyl)ethenyl]pyrene is Clc1ccccc1C=Cc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of 1-[2-(2-chlorophenyl)ethenyl]pyrene?
The InChIKey is CTRNDPUTRIXFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15Cl/c25-22-7-2-1-4-17(22)10-8-16-9-11-20-13-12-18-5-3-6-19-14-15-21(16)24(20)23(18)19/h1-15H.
What are the key properties of 1-[2-(2-chlorophenyl)ethenyl]pyrene?
1-[2-(2-chlorophenyl)ethenyl]pyrene has a molecular weight of 338.84 g/mol, XLogP of 7.41, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenyl)ethenyl]pyrene is sourced from PubChem (CID 71329845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).