2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde

C21H19NO — CID 24859965

IUPAC2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)ccc2C=O)cc1
InChIInChI=1S/C21H19NO/c1-22(2)20-12-10-17(11-13-20)21-14-18(8-9-19(21)15-23)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyQHLYAPWVYDKIDB-UHFFFAOYSA-N
MW301.39 g/mol
LogP4.90
Rot. Bonds4

About 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde

2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde (PubChem CID 24859965) has the molecular formula C21H19NO and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde
PubChem CID24859965
Molecular FormulaC21H19NO
Molecular Weight301.39 g/mol
Exact Mass301.15
IUPAC Name2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccccc3)ccc2C=O)cc1
InChIInChI=1S/C21H19NO/c1-22(2)20-12-10-17(11-13-20)21-14-18(8-9-19(21)15-23)16-6-4-3-5-7-16/h3-15H,1-2H3
InChIKeyQHLYAPWVYDKIDB-UHFFFAOYSA-N
XLogP4.90
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde (CID 24859965) is 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde is CN(C)c1ccc(-c2cc(-c3ccccc3)ccc2C=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde?
The InChIKey is QHLYAPWVYDKIDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO/c1-22(2)20-12-10-17(11-13-20)21-14-18(8-9-19(21)15-23)16-6-4-3-5-7-16/h3-15H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde?
2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde has a molecular weight of 301.39 g/mol, XLogP of 4.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)phenyl]-4-phenylbenzaldehyde is sourced from PubChem (CID 24859965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).