2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine

C27H21F3N4 — CID 140701084

IUPAC2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine
SMILES[H]/N=C(\C=C(N)C(F)(F)F)c1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C27H21F3N4/c28-27(29,30)26(32)18-24(31)25-17-23(15-16-33-25)34(21-9-5-2-6-10-21)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,31H,32H2/b26-18?,31-24+
InChIKeyYASCMRWBYOBCEU-FGEHCNGTSA-N
MW458.49 g/mol
LogP6.99
Rot. Bonds6

About 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine

2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine (PubChem CID 140701084) has the molecular formula C27H21F3N4 and a molecular weight of 458.49 g/mol. Its IUPAC name is 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine.

Molecular Properties

Compound Name2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine
PubChem CID140701084
Molecular FormulaC27H21F3N4
Molecular Weight458.49 g/mol
Exact Mass458.17
IUPAC Name2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine
SMILES[H]/N=C(\C=C(N)C(F)(F)F)c1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)ccn1
InChIInChI=1S/C27H21F3N4/c28-27(29,30)26(32)18-24(31)25-17-23(15-16-33-25)34(21-9-5-2-6-10-21)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,31H,32H2/b26-18?,31-24+
InChIKeyYASCMRWBYOBCEU-FGEHCNGTSA-N
XLogP6.99
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.49
LogP ≤ 56.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-4-pyridinyl]phenyl]-N,4-diphenylaniline
CID 140701134
2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N,N-diphenylpyridin-4-amine
CID 140701094
1,1,1-trifluoro-4-imino-4-[4-[4-(2-methylpropyl)thiophen-3-yl]-2-pyridinyl]but-2-en-2-amine
CID 153435221
[2-[4-formyloxy-6-(4-formyloxy-2-pyridinyl)-2-pyridinyl]-4-pyridinyl] formate;ruthenium(2+);[(Z)-4,4,4-trifluoro-3-imino-1-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]-2-pyridinyl]but-1-enyl]azanide;isothiocyanate
CID 140701133
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 58925038
N,N-diphenyl-4-[4-(N-[4-[4-(N-[4-[4-(N-phenylanilino)phenyl]phenyl]anilino)phenyl]phenyl]anilino)phenyl]aniline;N,4-diphenyl-N-[4-[4-(N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 159598544
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline
CID 160679121
1-N,1-N-diphenyl-4-N-[4-[4-[4-[N-[4-(N-phenylanilino)phenyl]-4-(4-phenylphenyl)anilino]phenyl]phenyl]phenyl]-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59601029
N,4-diphenyl-N-[4-[4-(4-phenyl-N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]aniline;4-phenyl-N-(4-phenylphenyl)-N-[4-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]phenyl]aniline
CID 158445844
1-N-phenyl-4-N,4-N-bis(4-phenylphenyl)-1-N-[4-[4-[4-[4-(4-phenylphenyl)-N-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]anilino]phenyl]phenyl]phenyl]benzene-1,4-diamine
CID 59742279
1-N,1-N,4-N-triphenyl-4-N-(4-phenylphenyl)benzene-1,4-diamine
CID 59738711
N-phenyl-4-(4-phenylphenyl)-N-[4-[4-(N-[4-[4-[4-(N-[4-[4-(N-[4-(4-phenylphenyl)phenyl]anilino)phenyl]phenyl]anilino)phenyl]phenyl]phenyl]anilino)phenyl]phenyl]aniline
CID 59510908

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine?
The IUPAC name of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine (CID 140701084) is 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine.
What is the SMILES notation for 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine?
The canonical SMILES for 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine is [H]/N=C(\C=C(N)C(F)(F)F)c1cc(N(c2ccccc2)c2ccc(-c3ccccc3)cc2)ccn1.
What is the InChIKey of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine?
The InChIKey is YASCMRWBYOBCEU-FGEHCNGTSA-N. The full InChI is InChI=1S/C27H21F3N4/c28-27(29,30)26(32)18-24(31)25-17-23(15-16-33-25)34(21-9-5-2-6-10-21)22-13-11-20(12-14-22)19-7-3-1-4-8-19/h1-18,31H,32H2/b26-18?,31-24+.
What are the key properties of 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine?
2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine has a molecular weight of 458.49 g/mol, XLogP of 6.99, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4,4,4-trifluorobut-2-enimidoyl)-N-phenyl-N-(4-phenylphenyl)pyridin-4-amine is sourced from PubChem (CID 140701084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).