6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

C25H23NO — CID 24859117

IUPAC6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccc4ccccc4c3)=CC=C2C=O)cc1
InChIInChI=1S/C25H23NO/c1-26(2)24-13-11-19(12-14-24)25-16-22(9-10-23(25)17-27)21-8-7-18-5-3-4-6-20(18)15-21/h3-15,17,25H,16H2,1-2H3
InChIKeyALAKFUJGJWSMIJ-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.60
Rot. Bonds4

About 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde

6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (PubChem CID 24859117) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.

Molecular Properties

Compound Name6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
PubChem CID24859117
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde
SMILESCN(C)c1ccc(C2CC(c3ccc4ccccc4c3)=CC=C2C=O)cc1
InChIInChI=1S/C25H23NO/c1-26(2)24-13-11-19(12-14-24)25-16-22(9-10-23(25)17-27)21-8-7-18-5-3-4-6-20(18)15-21/h3-15,17,25H,16H2,1-2H3
InChIKeyALAKFUJGJWSMIJ-UHFFFAOYSA-N
XLogP5.60
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.60
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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Frequently Asked Questions

What is the IUPAC name of 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The IUPAC name of 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde (CID 24859117) is 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde.
What is the SMILES notation for 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The canonical SMILES for 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is CN(C)c1ccc(C2CC(c3ccc4ccccc4c3)=CC=C2C=O)cc1.
What is the InChIKey of 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
The InChIKey is ALAKFUJGJWSMIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-26(2)24-13-11-19(12-14-24)25-16-22(9-10-23(25)17-27)21-8-7-18-5-3-4-6-20(18)15-21/h3-15,17,25H,16H2,1-2H3.
What are the key properties of 6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde?
6-[4-(dimethylamino)phenyl]-4-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde has a molecular weight of 353.47 g/mol, XLogP of 5.60, 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-naphthalen-2-ylcyclohexa-1,3-diene-1-carbaldehyde is sourced from PubChem (CID 24859117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).