4H-triphenylen-1-one

C18H12O — CID 21225631

IUPAC4H-triphenylen-1-one
SMILESO=C1C=CCc2c1c1ccccc1c1ccccc21
InChIInChI=1S/C18H12O/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-9,11H,10H2
InChIKeyWFVNKZATMJYHBT-UHFFFAOYSA-N
MW244.29 g/mol
LogP4.29
Rot. Bonds

About 4H-triphenylen-1-one

4H-triphenylen-1-one (PubChem CID 21225631) has the molecular formula C18H12O and a molecular weight of 244.29 g/mol. Its IUPAC name is 4H-triphenylen-1-one.

Molecular Properties

Compound Name4H-triphenylen-1-one
PubChem CID21225631
Molecular FormulaC18H12O
Molecular Weight244.29 g/mol
Exact Mass244.09
IUPAC Name4H-triphenylen-1-one
SMILESO=C1C=CCc2c1c1ccccc1c1ccccc21
InChIInChI=1S/C18H12O/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-9,11H,10H2
InChIKeyWFVNKZATMJYHBT-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4H-triphenylen-1-one?
The IUPAC name of 4H-triphenylen-1-one (CID 21225631) is 4H-triphenylen-1-one.
What is the SMILES notation for 4H-triphenylen-1-one?
The canonical SMILES for 4H-triphenylen-1-one is O=C1C=CCc2c1c1ccccc1c1ccccc21.
What is the InChIKey of 4H-triphenylen-1-one?
The InChIKey is WFVNKZATMJYHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12O/c19-17-11-5-10-16-14-7-2-1-6-12(14)13-8-3-4-9-15(13)18(16)17/h1-9,11H,10H2.
What are the key properties of 4H-triphenylen-1-one?
4H-triphenylen-1-one has a molecular weight of 244.29 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-triphenylen-1-one is sourced from PubChem (CID 21225631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).