1,2-dihydrotetracene

C18H14 — CID 526645

IUPAC1,2-dihydrotetracene
SMILESC1=Cc2cc3cc4ccccc4cc3cc2CC1
InChIInChI=1S/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-3,5-7,9-12H,4,8H2
InChIKeyQCAQXQLNGLLHGT-UHFFFAOYSA-N
MW230.31 g/mol
LogP4.95
Rot. Bonds

About 1,2-dihydrotetracene

1,2-dihydrotetracene (PubChem CID 526645) has the molecular formula C18H14 and a molecular weight of 230.31 g/mol. Its IUPAC name is 1,2-dihydrotetracene.

Molecular Properties

Compound Name1,2-dihydrotetracene
PubChem CID526645
Molecular FormulaC18H14
Molecular Weight230.31 g/mol
Exact Mass230.11
IUPAC Name1,2-dihydrotetracene
SMILESC1=Cc2cc3cc4ccccc4cc3cc2CC1
InChIInChI=1S/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-3,5-7,9-12H,4,8H2
InChIKeyQCAQXQLNGLLHGT-UHFFFAOYSA-N
XLogP4.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 54.95
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 1,2-dihydrotetracene?
The IUPAC name of 1,2-dihydrotetracene (CID 526645) is 1,2-dihydrotetracene.
What is the SMILES notation for 1,2-dihydrotetracene?
The canonical SMILES for 1,2-dihydrotetracene is C1=Cc2cc3cc4ccccc4cc3cc2CC1.
What is the InChIKey of 1,2-dihydrotetracene?
The InChIKey is QCAQXQLNGLLHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14/c1-2-6-14-10-18-12-16-8-4-3-7-15(16)11-17(18)9-13(14)5-1/h1-3,5-7,9-12H,4,8H2.
What are the key properties of 1,2-dihydrotetracene?
1,2-dihydrotetracene has a molecular weight of 230.31 g/mol, XLogP of 4.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrotetracene is sourced from PubChem (CID 526645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).