N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline

C31H29N3 — CID 177385814

IUPACN-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline
SMILESCN(/N=C/c1ccc(N(/C=C2\CCCc3ccccc32)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H29N3/c1-33(28-14-4-2-5-15-28)32-23-25-19-21-30(22-20-25)34(29-16-6-3-7-17-29)24-27-13-10-12-26-11-8-9-18-31(26)27/h2-9,11,14-24H,10,12-13H2,1H3/b27-24+,32-23+
InChIKeyKCFWFEQQTYJXMP-JXPNCPDRSA-N
MW443.59 g/mol
LogP7.67
Rot. Bonds6

About N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline

N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline (PubChem CID 177385814) has the molecular formula C31H29N3 and a molecular weight of 443.59 g/mol. Its IUPAC name is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline.

Molecular Properties

Compound NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline
PubChem CID177385814
Molecular FormulaC31H29N3
Molecular Weight443.59 g/mol
Exact Mass443.24
IUPAC NameN-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline
SMILESCN(/N=C/c1ccc(N(/C=C2\CCCc3ccccc32)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C31H29N3/c1-33(28-14-4-2-5-15-28)32-23-25-19-21-30(22-20-25)34(29-16-6-3-7-17-29)24-27-13-10-12-26-11-8-9-18-31(26)27/h2-9,11,14-24H,10,12-13H2,1H3/b27-24+,32-23+
InChIKeyKCFWFEQQTYJXMP-JXPNCPDRSA-N
XLogP7.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.59
LogP ≤ 57.67
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

N,N-diethyl-4-[[methyl(phenyl)hydrazinylidene]methyl]aniline
CID 54333940
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-N-[4-[(E)-2-[3-[(E)-2-[4-(N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]-5-[(E)-2-[4-(N-[(Z)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-2-ethyl-6-methylanilino)phenyl]ethenyl]phenyl]ethenyl]phenyl]-2-ethyl-6-methylaniline
CID 58596533
N-[(E)-(4-ethoxyphenyl)methylideneamino]-N-methylaniline
CID 90481154
N,N-bis(3,4-dihydro-2H-naphthalen-1-ylidenemethyl)-4-methoxyaniline
CID 54366801
N-[(E)-benzylideneamino]-4-fluoro-N-methylaniline
CID 141421369
N-[(Z)-[4-[[dimethyl(phenyl)silyl]-dimethylsilyl]phenyl]methylideneamino]-N-methylaniline
CID 71119687
4-butylidene-2,3-dihydro-1H-naphthalene
CID 123805104
4-[(Z)-2,3-dihydroinden-1-ylidenemethyl]-N,N-dimethylaniline
CID 6508665
4-[(E)-(dimethylhydrazinylidene)methyl]-N-methyl-N-phenylaniline
CID 56698447
N-[(4-hexoxyphenyl)methylideneamino]-N-methylaniline
CID 143565465
N-[(E)-(4-carbazol-9-ylphenyl)methylideneamino]-N-methylaniline
CID 18730197
N-[[1-(2-aminoethyl)pyridin-1-ium-4-yl]methylideneamino]-N-methylaniline
CID 76745592

Frequently Asked Questions

What is the IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline?
The IUPAC name of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline (CID 177385814) is N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline.
What is the SMILES notation for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline?
The canonical SMILES for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline is CN(/N=C/c1ccc(N(/C=C2\CCCc3ccccc32)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline?
The InChIKey is KCFWFEQQTYJXMP-JXPNCPDRSA-N. The full InChI is InChI=1S/C31H29N3/c1-33(28-14-4-2-5-15-28)32-23-25-19-21-30(22-20-25)34(29-16-6-3-7-17-29)24-27-13-10-12-26-11-8-9-18-31(26)27/h2-9,11,14-24H,10,12-13H2,1H3/b27-24+,32-23+.
What are the key properties of N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline?
N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline has a molecular weight of 443.59 g/mol, XLogP of 7.67, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-3,4-dihydro-2H-naphthalen-1-ylidenemethyl]-4-[(E)-[methyl(phenyl)hydrazinylidene]methyl]-N-phenylaniline is sourced from PubChem (CID 177385814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).