tetracene

C18H12 — CID 7080

IUPACtetracene
SMILESc1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
InChIKeyIFLREYGFSNHWGE-UHFFFAOYSA-N
MW228.29 g/mol
LogP5.15
Rot. Bonds

About tetracene

tetracene (PubChem CID 7080) has the molecular formula C18H12 and a molecular weight of 228.29 g/mol. Its IUPAC name is tetracene.

Molecular Properties

Compound Nametetracene
PubChem CID7080
Molecular FormulaC18H12
Molecular Weight228.29 g/mol
Exact Mass228.09
IUPAC Nametetracene
SMILESc1ccc2cc3cc4ccccc4cc3cc2c1
InChIInChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H
InChIKeyIFLREYGFSNHWGE-UHFFFAOYSA-N
XLogP5.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500228.29
LogP ≤ 55.15
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 tetracene?
The IUPAC name of tetracene (CID 7080) is tetracene.
What is the SMILES notation for tetracene?
The canonical SMILES for tetracene is c1ccc2cc3cc4ccccc4cc3cc2c1.
What is the InChIKey of tetracene?
The InChIKey is IFLREYGFSNHWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-12H.
What are the key properties of tetracene?
tetracene has a molecular weight of 228.29 g/mol, XLogP of 5.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for tetracene is sourced from PubChem (CID 7080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).