1-(1-phenylethenyl)anthracene

C22H16 — CID 18944689

IUPAC1-(1-phenylethenyl)anthracene
SMILESC=C(c1ccccc1)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C22H16/c1-16(17-8-3-2-4-9-17)21-13-7-12-20-14-18-10-5-6-11-19(18)15-22(20)21/h2-15H,1H2
InChIKeyRULPLWCUBQTZMN-UHFFFAOYSA-N
MW280.37 g/mol
LogP6.05
Rot. Bonds2

About 1-(1-phenylethenyl)anthracene

1-(1-phenylethenyl)anthracene (PubChem CID 18944689) has the molecular formula C22H16 and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-(1-phenylethenyl)anthracene.

Molecular Properties

Compound Name1-(1-phenylethenyl)anthracene
PubChem CID18944689
Molecular FormulaC22H16
Molecular Weight280.37 g/mol
Exact Mass280.13
IUPAC Name1-(1-phenylethenyl)anthracene
SMILESC=C(c1ccccc1)c1cccc2cc3ccccc3cc12
InChIInChI=1S/C22H16/c1-16(17-8-3-2-4-9-17)21-13-7-12-20-14-18-10-5-6-11-19(18)15-22(20)21/h2-15H,1H2
InChIKeyRULPLWCUBQTZMN-UHFFFAOYSA-N
XLogP6.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.37
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylethenyl)anthracene?
The IUPAC name of 1-(1-phenylethenyl)anthracene (CID 18944689) is 1-(1-phenylethenyl)anthracene.
What is the SMILES notation for 1-(1-phenylethenyl)anthracene?
The canonical SMILES for 1-(1-phenylethenyl)anthracene is C=C(c1ccccc1)c1cccc2cc3ccccc3cc12.
What is the InChIKey of 1-(1-phenylethenyl)anthracene?
The InChIKey is RULPLWCUBQTZMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16/c1-16(17-8-3-2-4-9-17)21-13-7-12-20-14-18-10-5-6-11-19(18)15-22(20)21/h2-15H,1H2.
What are the key properties of 1-(1-phenylethenyl)anthracene?
1-(1-phenylethenyl)anthracene has a molecular weight of 280.37 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylethenyl)anthracene is sourced from PubChem (CID 18944689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).