N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline

C23H23N3 — CID 2750014

IUPACN,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline
SMILESCN(C)c1ccc(C=CC(=NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3/c1-26(2)22-16-13-19(14-17-22)15-18-23(20-9-5-3-6-10-20)25-24-21-11-7-4-8-12-21/h3-18,24H,1-2H3
InChIKeyPGXVQLMSRMMTSF-UHFFFAOYSA-N
MW341.46 g/mol
LogP5.28
Rot. Bonds6

About N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline

N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline (PubChem CID 2750014) has the molecular formula C23H23N3 and a molecular weight of 341.46 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline
PubChem CID2750014
Molecular FormulaC23H23N3
Molecular Weight341.46 g/mol
Exact Mass341.19
IUPAC NameN,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline
SMILESCN(C)c1ccc(C=CC(=NNc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H23N3/c1-26(2)22-16-13-19(14-17-22)15-18-23(20-9-5-3-6-10-20)25-24-21-11-7-4-8-12-21/h3-18,24H,1-2H3
InChIKeyPGXVQLMSRMMTSF-UHFFFAOYSA-N
XLogP5.28
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.46
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-[(E)-3-(4-methoxyphenyl)-1-phenylprop-2-enylidene]amino]aniline
CID 45146558
CID 154709621
CID 154709621
methyl (E,4Z)-4-phenyl-4-(phenylhydrazinylidene)but-2-enoate
CID 6076546
N-[(Z)-[(E)-4-phenylbut-3-en-2-ylidene]amino]aniline
CID 6256661
N,N-dimethyl-4-[(E)-2-[4-[(E)-2-phenylethenyl]phenyl]ethenyl]aniline
CID 132506209
[4-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]phenyl]-phenylmethanone
CID 132506208
(E)-1-[4-(dimethylamino)phenyl]-3-phenylprop-2-en-1-one
CID 5356057
N,N-dimethyl-4-[3-[(4-nitrophenyl)hydrazinylidene]but-1-enyl]aniline
CID 3300042
N-[(Z)-[(Z)-5-(dimethylamino)-1-phenylpent-1-en-3-ylidene]amino]aniline
CID 92530730
N,N-dimethyl-4-[(1E,3E)-4-phenylbuta-1,3-dienyl]aniline
CID 10875699
N,N-dimethyl-4-[(1E,3E,5E)-6-phenylhexa-1,3,5-trienyl]aniline
CID 6015156
N-(1,3-diphenylprop-2-enylideneamino)benzamide
CID 3091818

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline?
The IUPAC name of N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline (CID 2750014) is N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline is CN(C)c1ccc(C=CC(=NNc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline?
The InChIKey is PGXVQLMSRMMTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3/c1-26(2)22-16-13-19(14-17-22)15-18-23(20-9-5-3-6-10-20)25-24-21-11-7-4-8-12-21/h3-18,24H,1-2H3.
What are the key properties of N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline?
N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline has a molecular weight of 341.46 g/mol, XLogP of 5.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[3-phenyl-3-(phenylhydrazinylidene)prop-1-enyl]aniline is sourced from PubChem (CID 2750014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).