6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde

C21H21NO — CID 24859120

IUPAC6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=CC=C2C=O)cc1
InChIInChI=1S/C21H21NO/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/h3-13,15,21H,14H2,1-2H3
InChIKeyPUALPIQPPCLCHO-UHFFFAOYSA-N
MW303.41 g/mol
LogP4.45
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde

6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859120) has the molecular formula C21H21NO and a molecular weight of 303.41 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859120
Molecular FormulaC21H21NO
Molecular Weight303.41 g/mol
Exact Mass303.16
IUPAC Name6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccccc3)=CC=C2C=O)cc1
InChIInChI=1S/C21H21NO/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/h3-13,15,21H,14H2,1-2H3
InChIKeyPUALPIQPPCLCHO-UHFFFAOYSA-N
XLogP4.45
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

4,4'-Bis(dimethylamino)benzophenone
CID 7031
4-(Dimethylamino)Benzaldehyde
CID 7479
4-(Diethylamino)benzaldehyde
CID 67114
4,4'-Bis(diethylamino)benzophenone
CID 66663
4-(Dimethylamino)cinnamaldehyde
CID 5284506
4-Dimethylaminochalcone
CID 5377268
4-(Dimethylamino)benzophenone
CID 10737
2,6-Bis(4-(dimethylamino)benzylidene)-1-cyclohexanone
CID 1550696
4-Dimethylamino-4'-fluorochalcone
CID 5709047
2,5-Bis(4-dimethylaminobenzylidene)cyclopentanone
CID 6382486
4-(Dipropylamino)benzaldehyde
CID 69171
Benzaldehyde, 4-(diphenylamino)-
CID 77846

Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859120) is 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde is CN(C)c1ccc(C2CC(c3ccccc3)=CC=C2C=O)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is PUALPIQPPCLCHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO/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/h3-13,15,21H,14H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde?
6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 303.41 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(dimethylamino)phenyl]-4-phenylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).