4-(Dibenzylamino)benzaldehyde-N,N-diphenylhydrazone

• CAS: 85171-94-4
• Catalog Number: ACM85171944
• Category: Organic & Printed Electronics
• Molecular Weight: 467.6
• Molecular Formula: (C6H5)2N2CHC6H4N(CH2C6H5)2
• Synonyms: 4-(DIBENZYLAMINO)BENZALDEHYDE-N,N-DIPHENYLHYDRAZONE;P-DIBENZYLAMINOBENZALDEHYDE,N,N-DIPHENYL-HYDRAZONE;4-(DIBENZYLAMINO)BENZALDEHYDE-N N-&
• IUPAC Name: N,N-dibenzyl-4-[(E)-(diphenylhydrazinylidene)methyl]aniline
• Canonical SMILES: C(N(Cc1ccccc1)c2ccc(cc2)\C=N\N(c3ccccc3)c4ccccc4)c5ccccc5
• InChI: 1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2/b34-25+,IRKBOPBCDTWDDY-YQCHCMBFSA-N
• InChI Key: IRKBOPBCDTWDDY-YQCHCMBFSA-N
• Melting Point: 148-152 °C (lit.)
• Application: Organic photoconductor. Charge transporting molecule for NLO applications.
• Storage: room temp
• Assay: 0.97
• Complexity: 577
• Covalently-Bonded Unit Count: 1
• Exact Mass: 467.236148g/mol
• Formal Charge: 0
• H-Bond Acceptor: 3
• H-Bond Donor: 0
• Heavy Atom Count: 36
• MDL Number: MFCD00145074
• Monoisotopic Mass: 467.236148g/mol
• Quality Level: 100
• Rotatable Bond Count: 9
• XLogP3: 8.3

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C33H29N3.

What are the synonyms of the compound?

The synonyms are 4-(Dibenzylamino)benzaldehyde-N,N-diphenylhydrazone, 85171-94-4, N,N-dibenzyl-4-[(E)-(diphenylhydrazinylidene)methyl]aniline, SCHEMBL170198, SCHEMBL332653.

What is the molecular weight of the compound?

The molecular weight is 467.6 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is N,N-dibenzyl-4-[(E)-(diphenylhydrazinylidene)methyl]aniline.

What is the InChI of the compound?

The InChI is InChI=1S/C33H29N3/c1-5-13-29(14-6-1)26-35(27-30-15-7-2-8-16-30)31-23-21-28(22-24-31)25-34-36(32-17-9-3-10-18-32)33-19-11-4-12-20-33/h1-25H,26-27H2/b34-25+.

What is the InChIKey of the compound?

The InChIKey is IRKBOPBCDTWDDY-YQCHCMBFSA-N.

What is the Canonical SMILES of the compound?

The Canonical SMILES is C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)C=NN(C4=CC=CC=C4)C5=CC=CC=C5.

What is the Isomeric SMILES of the compound?

The Isomeric SMILES is C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C3=CC=C(C=C3)/C=N/N(C4=CC=CC=C4)C5=CC=CC=C5.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value is 8.3.

What is the hydrogen bond donor count of the compound?

The hydrogen bond donor count is 0.