N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane

C28H39N3 — CID 172938766

IUPACN,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane
SMILESC=C(C)N/N=C/c1cccc(N(c2ccccc2)c2ccccc2)c1.CC.CC.CC
InChIInChI=1S/C22H21N3.3C2H6/c1-18(2)24-23-17-19-10-9-15-22(16-19)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21;3*1-2/h3-17,24H,1H2,2H3;3*1-2H3/b23-17+;;;
InChIKeyYOICPBQRABYHJV-WUCHBLMUSA-N
MW417.64 g/mol
LogP8.69
Rot. Bonds6

About N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane

N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane (PubChem CID 172938766) has the molecular formula C28H39N3 and a molecular weight of 417.64 g/mol. Its IUPAC name is N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane.

Molecular Properties

Compound NameN,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane
PubChem CID172938766
Molecular FormulaC28H39N3
Molecular Weight417.64 g/mol
Exact Mass417.31
IUPAC NameN,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane
SMILESC=C(C)N/N=C/c1cccc(N(c2ccccc2)c2ccccc2)c1.CC.CC.CC
InChIInChI=1S/C22H21N3.3C2H6/c1-18(2)24-23-17-19-10-9-15-22(16-19)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21;3*1-2/h3-17,24H,1H2,2H3;3*1-2H3/b23-17+;;;
InChIKeyYOICPBQRABYHJV-WUCHBLMUSA-N
XLogP8.69
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.64
LogP ≤ 58.69
H-Bond Donors ≤ 51
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

ethane;3-ethenyl-N,N-diphenylaniline
CID 123345777
3-ethenyl-N-(3-ethenylphenyl)-N-phenylaniline
CID 58099838
3-[3-(hydroxyamino)-3-oxoprop-1-enyl]-N-[[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 123812830
N-methyl-N'-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]propanediamide
CID 58350172
ethyl N-[[4-(N-phenylanilino)phenyl]methylideneamino]carbamate
CID 4538267
3-[(E)-benzylideneamino]-1,1-dimethylthiourea
CID 13297422
1-N,1-N,3-N-triphenyl-3-N-[3-(N-[3-(N-[3-(N-phenylanilino)phenyl]anilino)phenyl]anilino)phenyl]benzene-1,3-diamine
CID 58623553
1-N,1-N,3-N,3-N-tetraphenylbenzene-1,3-diamine
CID 4163727
3-[2-(4-methylphenyl)ethenyl]-N-[4-[4-(N-[4-[2-(4-methylphenyl)ethenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59987783
2,5-dimethyl-N-[[4-(N-phenylanilino)phenyl]methylideneamino]furan-3-carboxamide
CID 5223464
2,4-dimethyl-N-[(E)-[4-(N-phenylanilino)phenyl]methylideneamino]benzamide
CID 6901568
1-(3-methoxyphenyl)-3-[(Z)-[4-(N-phenylanilino)phenyl]methylideneamino]thiourea
CID 6024444

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane?
The IUPAC name of N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane (CID 172938766) is N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane.
What is the SMILES notation for N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane?
The canonical SMILES for N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane is C=C(C)N/N=C/c1cccc(N(c2ccccc2)c2ccccc2)c1.CC.CC.CC.
What is the InChIKey of N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane?
The InChIKey is YOICPBQRABYHJV-WUCHBLMUSA-N. The full InChI is InChI=1S/C22H21N3.3C2H6/c1-18(2)24-23-17-19-10-9-15-22(16-19)25(20-11-5-3-6-12-20)21-13-7-4-8-14-21;3*1-2/h3-17,24H,1H2,2H3;3*1-2H3/b23-17+;;;.
What are the key properties of N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane?
N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane has a molecular weight of 417.64 g/mol, XLogP of 8.69, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diphenyl-3-[(E)-(prop-1-en-2-ylhydrazinylidene)methyl]aniline;ethane is sourced from PubChem (CID 172938766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).