2,6-bis(ethenyl)anthracene

C18H14 — CID 102227749

IUPAC2,6-bis(ethenyl)anthracene
SMILESC=Cc1ccc2cc3cc(C=C)ccc3cc2c1
InChIInChI=1S/C18H14/c1-3-13-5-7-15-12-18-10-14(4-2)6-8-16(18)11-17(15)9-13/h3-12H,1-2H2
InChIKeyIVMQGAAXFSYEQZ-UHFFFAOYSA-N
MW230.31 g/mol
LogP5.28
Rot. Bonds2

About 2,6-bis(ethenyl)anthracene

2,6-bis(ethenyl)anthracene (PubChem CID 102227749) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 2,6-bis(ethenyl)anthracene.

Molecular Properties

Compound Name2,6-bis(ethenyl)anthracene
PubChem CID102227749
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name2,6-bis(ethenyl)anthracene
SMILESC=Cc1ccc2cc3cc(C=C)ccc3cc2c1
InChIInChI=1S/C18H14/c1-3-13-5-7-15-12-18-10-14(4-2)6-8-16(18)11-17(15)9-13/h3-12H,1-2H2
InChIKeyIVMQGAAXFSYEQZ-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.31
LogP ≤ 55.28
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 2,6-bis(ethenyl)anthracene?
The IUPAC name of 2,6-bis(ethenyl)anthracene (CID 102227749) is 2,6-bis(ethenyl)anthracene.
What is the SMILES notation for 2,6-bis(ethenyl)anthracene?
The canonical SMILES for 2,6-bis(ethenyl)anthracene is C=Cc1ccc2cc3cc(C=C)ccc3cc2c1.
What is the InChIKey of 2,6-bis(ethenyl)anthracene?
The InChIKey is IVMQGAAXFSYEQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-3-13-5-7-15-12-18-10-14(4-2)6-8-16(18)11-17(15)9-13/h3-12H,1-2H2.
What are the key properties of 2,6-bis(ethenyl)anthracene?
2,6-bis(ethenyl)anthracene has a molecular weight of 230.31 g/mol, XLogP of 5.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis(ethenyl)anthracene is sourced from PubChem (CID 102227749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).