N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline

C50H52N6 — CID 87966041

IUPACN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2cccc3ccccc23)cc1.CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H27N3.C23H25N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27;1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-21H,3-4H2,1-2H3;5-19H,3-4H2,1-2H3/b28-21+;24-19+
InChIKeyUTPOSLUXYJRQAO-IQRVKJCYSA-N
MW737.01 g/mol
LogP12.56
Rot. Bonds14

About N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline

N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline (PubChem CID 87966041) has the molecular formula C50H52N6 and a molecular weight of 737.01 g/mol. Its IUPAC name is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline.

Molecular Properties

Compound NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
PubChem CID87966041
Molecular FormulaC50H52N6
Molecular Weight737.01 g/mol
Exact Mass736.43
IUPAC NameN-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline
SMILESCCN(CC)c1ccc(/C=N/N(c2ccccc2)c2cccc3ccccc23)cc1.CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H27N3.C23H25N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27;1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-21H,3-4H2,1-2H3;5-19H,3-4H2,1-2H3/b28-21+;24-19+
InChIKeyUTPOSLUXYJRQAO-IQRVKJCYSA-N
XLogP12.56
TPSA37.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500737.01
LogP ≤ 512.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-[(4-ethenylphenyl)methylideneamino]-N-phenylnaphthalen-1-amine
CID 58803530
N-[(E)-[4-(ethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 22964783
N-(4-chlorophenyl)-N-[(E)-[4-(dibenzylamino)phenyl]methylideneamino]naphthalen-1-amine
CID 20650343
N-[(Z)-[4-(diethylamino)phenyl]methylideneamino]-4-ethyl-N-(4-methylphenyl)naphthalen-1-amine
CID 70841410
N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
4-N-[4-(diethylamino)phenyl]-1-N,1-N-diethyl-4-N-[(E)-(9-methylcarbazol-3-yl)methylideneamino]benzene-1,4-diamine
CID 20761205
4-N-(benzylideneamino)-1-N,1-N-diethyl-4-N-(2-naphthalen-1-ylethyl)benzene-1,4-diamine
CID 67919479
4-[(diphenylhydrazinylidene)methyl]-N-ethenyl-N-ethylaniline
CID 59096400
N-[(E)-[2-chloro-4-(dimethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine
CID 20650331
N-[4-[(diphenylhydrazinylidene)methyl]phenyl]-4-methyl-N-(4-methylphenyl)aniline
CID 42614307
N-ethyl-N-phenylnaphthalen-1-amine;methane
CID 143268632
4-(N-[(E)-[4-(N-(4-methylphenyl)anilino)phenyl]methylideneamino]anilino)benzaldehyde
CID 90065532

Frequently Asked Questions

What is the IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline?
The IUPAC name of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline (CID 87966041) is N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline.
What is the SMILES notation for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline?
The canonical SMILES for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline is CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2cccc3ccccc23)cc1.CCN(CC)c1ccc(/C=N/N(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline?
The InChIKey is UTPOSLUXYJRQAO-IQRVKJCYSA-N. The full InChI is InChI=1S/C27H27N3.C23H25N3/c1-3-29(4-2)24-19-17-22(18-20-24)21-28-30(25-13-6-5-7-14-25)27-16-10-12-23-11-8-9-15-26(23)27;1-3-25(4-2)21-17-15-20(16-18-21)19-24-26(22-11-7-5-8-12-22)23-13-9-6-10-14-23/h5-21H,3-4H2,1-2H3;5-19H,3-4H2,1-2H3/b28-21+;24-19+.
What are the key properties of N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline?
N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline has a molecular weight of 737.01 g/mol, XLogP of 12.56, 14 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[4-(diethylamino)phenyl]methylideneamino]-N-phenylnaphthalen-1-amine;4-[(E)-(diphenylhydrazinylidene)methyl]-N,N-diethylaniline is sourced from PubChem (CID 87966041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).