2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline

C34H28N2 — CID 142622087

IUPAC2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline
SMILES[H]/N=C(\c1ccccc1)c1ccc(/C(C)=C/c2c(N)cccc2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C34H28N2/c1-24(25-18-20-28(21-19-25)34(36)27-12-6-3-7-13-27)22-32-31(16-9-17-33(32)35)30-15-8-14-29(23-30)26-10-4-2-5-11-26/h2-23,36H,35H2,1H3/b24-22+,36-34+
InChIKeyJSGYJFYBTYAVGU-PZIQZSSQSA-N
MW464.61 g/mol
LogP8.58
Rot. Bonds6

About 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline

2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline (PubChem CID 142622087) has the molecular formula C34H28N2 and a molecular weight of 464.61 g/mol. Its IUPAC name is 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline.

Molecular Properties

Compound Name2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline
PubChem CID142622087
Molecular FormulaC34H28N2
Molecular Weight464.61 g/mol
Exact Mass464.23
IUPAC Name2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline
SMILES[H]/N=C(\c1ccccc1)c1ccc(/C(C)=C/c2c(N)cccc2-c2cccc(-c3ccccc3)c2)cc1
InChIInChI=1S/C34H28N2/c1-24(25-18-20-28(21-19-25)34(36)27-12-6-3-7-13-27)22-32-31(16-9-17-33(32)35)30-15-8-14-29(23-30)26-10-4-2-5-11-26/h2-23,36H,35H2,1H3/b24-22+,36-34+
InChIKeyJSGYJFYBTYAVGU-PZIQZSSQSA-N
XLogP8.58
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.61
LogP ≤ 58.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

3-(3-phenylbenzenecarboximidoyl)aniline
CID 145441675
1-[2-(3-phenylphenyl)phenyl]ethanimine
CID 170152317
3-[3-(3-phenylphenyl)phenyl]benzene-1,2-diamine
CID 121301760
(3-dibenzothiophen-1-ylphenyl)-(3-phenylphenyl)methanimine
CID 142319431
[2-[2-[3-(3,5-diphenylphenyl)phenyl]-6-propylphenyl]-3-methylphenyl]-phenylmethanimine
CID 170361542
3-[4-(2-aminobenzenecarboximidoyl)phenyl]benzonitrile
CID 118682362
2-(benzenecarboximidoyl)-4-N-(3-phenylphenyl)sulfanylbenzene-1,4-diamine
CID 142806416
2-[3-(2-aminophenyl)phenyl]aniline
CID 69336555
(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
CID 135008766
1-phenyl-4-[(E)-1-(4-phenylphenyl)prop-1-en-2-yl]benzene
CID 101427630
3-[4-[3-(4-phenylphenyl)phenyl]phenyl]benzene-1,2-diamine
CID 121301752
dibenzofuran-2-yl-(3-phenylphenyl)methanimine
CID 167230437

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline?
The IUPAC name of 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline (CID 142622087) is 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline.
What is the SMILES notation for 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline?
The canonical SMILES for 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline is [H]/N=C(\c1ccccc1)c1ccc(/C(C)=C/c2c(N)cccc2-c2cccc(-c3ccccc3)c2)cc1.
What is the InChIKey of 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline?
The InChIKey is JSGYJFYBTYAVGU-PZIQZSSQSA-N. The full InChI is InChI=1S/C34H28N2/c1-24(25-18-20-28(21-19-25)34(36)27-12-6-3-7-13-27)22-32-31(16-9-17-33(32)35)30-15-8-14-29(23-30)26-10-4-2-5-11-26/h2-23,36H,35H2,1H3/b24-22+,36-34+.
What are the key properties of 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline?
2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline has a molecular weight of 464.61 g/mol, XLogP of 8.58, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-[4-(benzenecarboximidoyl)phenyl]prop-1-enyl]-3-(3-phenylphenyl)aniline is sourced from PubChem (CID 142622087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).