azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene

C54H64N4O — CID 159134998

About azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene

azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene (PubChem CID 159134998) has the molecular formula C54H64N4O and a molecular weight of 785.13 g/mol. Its IUPAC name is azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene.

Molecular Properties

• Compound Name: azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene
• PubChem CID: 159134998
• Molecular Formula: C54H64N4O
• Molecular Weight: 785.13 g/mol
• Exact Mass: 784.51
• IUPAC Name: azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene
• SMILES: Cc1ccc(C)cc1.Cc1ccc(C=O)c(C)c1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(C)cc3C)cc2)cc1.Cc1ccc(N)cc1.N.N
• InChI: InChI=1S/C30H29N.C9H10O.C8H10.C7H9N.2H3N/c1-22-6-15-28(16-7-22)31(29-17-8-23(2)9-18-29)30-19-11-26(12-20-30)10-14-27-13-5-24(3)21-25(27)4;1-7-3-4-9(6-10)8(2)5-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;;/h5-21H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;2-5H,8H2,1H3;2*1H3
• InChIKey: QPLZNUNLQAWLNA-UHFFFAOYSA-N
• XLogP: 14.88
• TPSA: 116.33 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.13
LogP ≤ 5	14.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene?

The IUPAC name of azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene (CID 159134998) is azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene.

What is the SMILES notation for azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene?

The canonical SMILES for azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene is Cc1ccc(C)cc1.Cc1ccc(C=O)c(C)c1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(C=Cc3ccc(C)cc3C)cc2)cc1.Cc1ccc(N)cc1.N.N.

What is the InChIKey of azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene?

The InChIKey is QPLZNUNLQAWLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H29N.C9H10O.C8H10.C7H9N.2H3N/c1-22-6-15-28(16-7-22)31(29-17-8-23(2)9-18-29)30-19-11-26(12-20-30)10-14-27-13-5-24(3)21-25(27)4;1-7-3-4-9(6-10)8(2)5-7;1-7-3-5-8(2)6-4-7;1-6-2-4-7(8)5-3-6;;/h5-21H,1-4H3;3-6H,1-2H3;3-6H,1-2H3;2-5H,8H2,1H3;2*1H3.

What are the key properties of azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene?

azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene has a molecular weight of 785.13 g/mol, XLogP of 14.88, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for azane;2,4-dimethylbenzaldehyde;N-[4-[2-(2,4-dimethylphenyl)ethenyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline;4-methylaniline;1,4-xylene is sourced from PubChem (CID 159134998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).