5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde

C22H19NO2 — CID 165354792

IUPAC5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(C=O)cc(C=O)c2)cc1
InChIInChI=1S/C22H19NO2/c1-16-3-7-20(8-4-16)23(21-9-5-17(2)6-10-21)22-12-18(14-24)11-19(13-22)15-25/h3-15H,1-2H3
InChIKeyXMYMGCPDQHAVMF-UHFFFAOYSA-N
MW329.40 g/mol
LogP5.40
Rot. Bonds5

About 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde

5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde (PubChem CID 165354792) has the molecular formula C22H19NO2 and a molecular weight of 329.40 g/mol. Its IUPAC name is 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde
PubChem CID165354792
Molecular FormulaC22H19NO2
Molecular Weight329.40 g/mol
Exact Mass329.14
IUPAC Name5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde
SMILESCc1ccc(N(c2ccc(C)cc2)c2cc(C=O)cc(C=O)c2)cc1
InChIInChI=1S/C22H19NO2/c1-16-3-7-20(8-4-16)23(21-9-5-17(2)6-10-21)22-12-18(14-24)11-19(13-22)15-25/h3-15H,1-2H3
InChIKeyXMYMGCPDQHAVMF-UHFFFAOYSA-N
XLogP5.40
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
ethane;1-N,1-N,4-N,4-N-tetrakis(4-methylphenyl)benzene-1,4-diamine
CID 145303596
4-[4-[4-(4-formylphenyl)-N-[4-(4-formylphenyl)phenyl]anilino]phenyl]benzaldehyde
CID 59742159
(E)-3-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]prop-2-enal
CID 58898607
4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline
CID 159454269
ethane;4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 143133606
1-N,3-N,5-N-tris(4-methylphenyl)-1-N,3-N,5-N-tris[4-[(E)-2-phenylethenyl]phenyl]benzene-1,3,5-triamine
CID 121421564
3,5-dibromo-N,N-bis(4-methylphenyl)aniline
CID 58544695
4-methyl-N,N-bis[4-[2-[4-(4-methylphenyl)phenyl]ethenyl]phenyl]aniline
CID 59805421
3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]-N-[3-[(E)-2-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]-N-(4-methylphenyl)aniline
CID 118136756
ethane;methanol;4-methyl-N,N-bis(4-methylphenyl)aniline
CID 143762169
4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532

Frequently Asked Questions

What is the IUPAC name of 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde?
The IUPAC name of 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde (CID 165354792) is 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde.
What is the SMILES notation for 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde?
The canonical SMILES for 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde is Cc1ccc(N(c2ccc(C)cc2)c2cc(C=O)cc(C=O)c2)cc1.
What is the InChIKey of 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde?
The InChIKey is XMYMGCPDQHAVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO2/c1-16-3-7-20(8-4-16)23(21-9-5-17(2)6-10-21)22-12-18(14-24)11-19(13-22)15-25/h3-15H,1-2H3.
What are the key properties of 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde?
5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde has a molecular weight of 329.40 g/mol, XLogP of 5.40, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methyl-N-(4-methylphenyl)anilino)benzene-1,3-dicarbaldehyde is sourced from PubChem (CID 165354792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).