4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde

C34H29N3O — CID 90065635

IUPAC4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=N/N(c3ccccc3)c3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C34H29N3O/c1-26-8-16-30(17-9-26)36(31-18-10-27(2)11-19-31)32-20-12-28(13-21-32)24-35-37(33-6-4-3-5-7-33)34-22-14-29(25-38)15-23-34/h3-25H,1-2H3/b35-24+
InChIKeyXDHZDUMCXQYYCT-JWHWKPFMSA-N
MW495.63 g/mol
LogP8.76
Rot. Bonds8

About 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde

4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde (PubChem CID 90065635) has the molecular formula C34H29N3O and a molecular weight of 495.63 g/mol. Its IUPAC name is 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde.

Molecular Properties

Compound Name4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
PubChem CID90065635
Molecular FormulaC34H29N3O
Molecular Weight495.63 g/mol
Exact Mass495.23
IUPAC Name4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
SMILESCc1ccc(N(c2ccc(C)cc2)c2ccc(/C=N/N(c3ccccc3)c3ccc(C=O)cc3)cc2)cc1
InChIInChI=1S/C34H29N3O/c1-26-8-16-30(17-9-26)36(31-18-10-27(2)11-19-31)32-20-12-28(13-21-32)24-35-37(33-6-4-3-5-7-33)34-22-14-29(25-38)15-23-34/h3-25H,1-2H3/b35-24+
InChIKeyXDHZDUMCXQYYCT-JWHWKPFMSA-N
XLogP8.76
TPSA35.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.63
LogP ≤ 58.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
4-(4-methyl-N-[4-[4-(N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)benzaldehyde
CID 102447385
N-[(E)-[4-(N-[4-(2,2-diphenylethenyl)phenyl]anilino)phenyl]methylideneamino]-4-methyl-N-(4-methylphenyl)aniline
CID 172928570
4-(N-[4-[2-(4-methylphenyl)-2-phenylethenyl]phenyl]anilino)benzaldehyde
CID 59080163
4-[(diphenylhydrazinylidene)methyl]-N-ethenyl-N-ethylaniline
CID 59096400
4-methyl-N-[4-[(E)-2-[4-[(E)-2-[4-(N-(4-methylphenyl)anilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-N-phenylaniline
CID 14366502
4-[(E)-(diphenylhydrazinylidene)methyl]-N-[4-[4-(N-[4-[(E)-(diphenylhydrazinylidene)methyl]-3-methylphenyl]-4-methylanilino)phenyl]phenyl]-3-methyl-N-(4-methylphenyl)aniline
CID 172986340
ethane;tris(4-methyl-N,N-diphenylaniline)
CID 159159918
N-[(Z)-(4-methylsulfanylphenyl)methylideneamino]-N-phenylaniline
CID 6050776
4-(N-[4-(N-(4-methoxyphenyl)anilino)phenyl]anilino)benzaldehyde
CID 22973932
N,N-diphenyl-4-[4-(N-phenylanilino)phenyl]aniline;4-ethenyl-N-phenyl-N-[4-[4-(N-phenylanilino)phenyl]phenyl]aniline;4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)benzaldehyde
CID 160992950

Frequently Asked Questions

What is the IUPAC name of 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde?
The IUPAC name of 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde (CID 90065635) is 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde.
What is the SMILES notation for 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde?
The canonical SMILES for 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde is Cc1ccc(N(c2ccc(C)cc2)c2ccc(/C=N/N(c3ccccc3)c3ccc(C=O)cc3)cc2)cc1.
What is the InChIKey of 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde?
The InChIKey is XDHZDUMCXQYYCT-JWHWKPFMSA-N. The full InChI is InChI=1S/C34H29N3O/c1-26-8-16-30(17-9-26)36(31-18-10-27(2)11-19-31)32-20-12-28(13-21-32)24-35-37(33-6-4-3-5-7-33)34-22-14-29(25-38)15-23-34/h3-25H,1-2H3/b35-24+.
What are the key properties of 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde?
4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde has a molecular weight of 495.63 g/mol, XLogP of 8.76, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-[(E)-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde is sourced from PubChem (CID 90065635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).