2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde

C27H23NO — CID 24858820

IUPAC2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccc2C=O)cc1
InChIInChI=1S/C27H23NO/c1-28(2)26-16-14-23(15-17-26)27-18-24(12-13-25(27)19-29)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19H,1-2H3
InChIKeyKNKCWQWBYJFORH-UHFFFAOYSA-N
MW377.49 g/mol
LogP6.57
Rot. Bonds5

About 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde

2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde (PubChem CID 24858820) has the molecular formula C27H23NO and a molecular weight of 377.49 g/mol. Its IUPAC name is 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde.

Molecular Properties

Compound Name2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde
PubChem CID24858820
Molecular FormulaC27H23NO
Molecular Weight377.49 g/mol
Exact Mass377.18
IUPAC Name2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde
SMILESCN(C)c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccc2C=O)cc1
InChIInChI=1S/C27H23NO/c1-28(2)26-16-14-23(15-17-26)27-18-24(12-13-25(27)19-29)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19H,1-2H3
InChIKeyKNKCWQWBYJFORH-UHFFFAOYSA-N
XLogP6.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.49
LogP ≤ 56.57
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-(4-phenylphenyl)benzaldehyde?
The IUPAC name of 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde (CID 24858820) is 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde.
What is the SMILES notation for 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde?
The canonical SMILES for 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde is CN(C)c1ccc(-c2cc(-c3ccc(-c4ccccc4)cc3)ccc2C=O)cc1.
What is the InChIKey of 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde?
The InChIKey is KNKCWQWBYJFORH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO/c1-28(2)26-16-14-23(15-17-26)27-18-24(12-13-25(27)19-29)22-10-8-21(9-11-22)20-6-4-3-5-7-20/h3-19H,1-2H3.
What are the key properties of 2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde?
2-[4-(dimethylamino)phenyl]-4-(4-phenylphenyl)benzaldehyde has a molecular weight of 377.49 g/mol, XLogP of 6.57, 5 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-(4-phenylphenyl)benzaldehyde is sourced from PubChem (CID 24858820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).