4-triphenylen-2-ylbenzaldehyde

C25H16O — CID 58078284

IUPAC4-triphenylen-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C25H16O/c26-16-17-9-11-18(12-10-17)19-13-14-24-22-7-2-1-5-20(22)21-6-3-4-8-23(21)25(24)15-19/h1-16H
InChIKeyLFACYXFTKFRRCH-UHFFFAOYSA-N
MW332.40 g/mol
LogP6.63
Rot. Bonds2

About 4-triphenylen-2-ylbenzaldehyde

4-triphenylen-2-ylbenzaldehyde (PubChem CID 58078284) has the molecular formula C25H16O and a molecular weight of 332.40 g/mol. Its IUPAC name is 4-triphenylen-2-ylbenzaldehyde.

Molecular Properties

Compound Name4-triphenylen-2-ylbenzaldehyde
PubChem CID58078284
Molecular FormulaC25H16O
Molecular Weight332.40 g/mol
Exact Mass332.12
IUPAC Name4-triphenylen-2-ylbenzaldehyde
SMILESO=Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1
InChIInChI=1S/C25H16O/c26-16-17-9-11-18(12-10-17)19-13-14-24-22-7-2-1-5-20(22)21-6-3-4-8-23(21)25(24)15-19/h1-16H
InChIKeyLFACYXFTKFRRCH-UHFFFAOYSA-N
XLogP6.63
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.40
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-triphenylen-2-ylbenzaldehyde?
The IUPAC name of 4-triphenylen-2-ylbenzaldehyde (CID 58078284) is 4-triphenylen-2-ylbenzaldehyde.
What is the SMILES notation for 4-triphenylen-2-ylbenzaldehyde?
The canonical SMILES for 4-triphenylen-2-ylbenzaldehyde is O=Cc1ccc(-c2ccc3c4ccccc4c4ccccc4c3c2)cc1.
What is the InChIKey of 4-triphenylen-2-ylbenzaldehyde?
The InChIKey is LFACYXFTKFRRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16O/c26-16-17-9-11-18(12-10-17)19-13-14-24-22-7-2-1-5-20(22)21-6-3-4-8-23(21)25(24)15-19/h1-16H.
What are the key properties of 4-triphenylen-2-ylbenzaldehyde?
4-triphenylen-2-ylbenzaldehyde has a molecular weight of 332.40 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-triphenylen-2-ylbenzaldehyde is sourced from PubChem (CID 58078284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).