4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine

C38H30F3N3 — CID 20685527

IUPAC4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine
SMILESCc1ccc(N(c2cccc(C(F)(F)F)c2)c2ccc(/C=N/N(Cc3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H30F3N3/c1-28-19-22-33(23-20-28)44(34-16-10-13-31(25-34)38(39,40)41)37-24-21-30(35-17-8-9-18-36(35)37)26-42-43(32-14-6-3-7-15-32)27-29-11-4-2-5-12-29/h2-26H,27H2,1H3/b42-26+
InChIKeyCJYTYWFVNAYBKP-OOWNWPBNSA-N
MW585.67 g/mol
LogP10.68
Rot. Bonds8

About 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine

4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine (PubChem CID 20685527) has the molecular formula C38H30F3N3 and a molecular weight of 585.67 g/mol. Its IUPAC name is 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine
PubChem CID20685527
Molecular FormulaC38H30F3N3
Molecular Weight585.67 g/mol
Exact Mass585.24
IUPAC Name4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine
SMILESCc1ccc(N(c2cccc(C(F)(F)F)c2)c2ccc(/C=N/N(Cc3ccccc3)c3ccccc3)c3ccccc23)cc1
InChIInChI=1S/C38H30F3N3/c1-28-19-22-33(23-20-28)44(34-16-10-13-31(25-34)38(39,40)41)37-24-21-30(35-17-8-9-18-36(35)37)26-42-43(32-14-6-3-7-15-32)27-29-11-4-2-5-12-29/h2-26H,27H2,1H3/b42-26+
InChIKeyCJYTYWFVNAYBKP-OOWNWPBNSA-N
XLogP10.68
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.67
LogP ≤ 510.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzaldehyde, 4-(bis(phenylmethyl)amino)-2-methyl-, 2,2-diphenylhydrazone
CID 6437788
N,N-diethyl-4-[(E)-[4-(naphthalen-1-ylmethyl)piperazin-1-yl]iminomethyl]aniline
CID 5343486
4-Bis(4-methylphenyl)aminobenzaldehyde-1,1-diphenyl-hydrazone
CID 20431411
1-Methyl-2-phenyl-3-[3-(trifluoromethyl)phenyl]benzo[de]quinoline
CID 14686875
1-Methyl-3-phenyl-2-[3-(trifluoromethyl)phenyl]benzo[de]quinoline
CID 14686876
N-[4-[4-[bis[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]amino]phenyl]phenyl]-4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]naphthalen-1-amine
CID 102156826
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)naphthalen-1-yl]-N-[4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecyl)phenyl]naphthalen-1-amine
CID 102156828
5-(4-Fluorophenyl)-1-(4-methylphenyl)-3-(2-naphthyl)-4,5-dihydro-1h-pyrazole
CID 134613023
1-(2,3,4,5,6-pentafluorophenyl)-N-[1-[2-[(2,3,4,5,6-pentafluorophenyl)methylideneamino]naphthalen-1-yl]-5,6,7,8-tetrahydronaphthalen-2-yl]methanimine
CID 134974744
N,N-bis(3',5'-bis(trifluoromethyl)-[1,1'-biphenyl]-4-yl)perylen-3-amine
CID 156580224
1-[2-bis(2,3,4,5,6-pentafluorophenyl)boranylnaphthalen-1-yl]-N-methyl-N-propan-2-ylnaphthalen-2-amine
CID 164667595
4-(Dibenzylamino)benzaldehyde-N,N-diphenylhydrazone
CID 9646955

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine?
The IUPAC name of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine (CID 20685527) is 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine?
The canonical SMILES for 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine is Cc1ccc(N(c2cccc(C(F)(F)F)c2)c2ccc(/C=N/N(Cc3ccccc3)c3ccccc3)c3ccccc23)cc1.
What is the InChIKey of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine?
The InChIKey is CJYTYWFVNAYBKP-OOWNWPBNSA-N. The full InChI is InChI=1S/C38H30F3N3/c1-28-19-22-33(23-20-28)44(34-16-10-13-31(25-34)38(39,40)41)37-24-21-30(35-17-8-9-18-36(35)37)26-42-43(32-14-6-3-7-15-32)27-29-11-4-2-5-12-29/h2-26H,27H2,1H3/b42-26+.
What are the key properties of 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine?
4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine has a molecular weight of 585.67 g/mol, XLogP of 10.68, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[benzyl(phenyl)hydrazinylidene]methyl]-N-(4-methylphenyl)-N-[3-(trifluoromethyl)phenyl]naphthalen-1-amine is sourced from PubChem (CID 20685527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).