4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine

C33H28F6N6 — CID 59357078

IUPAC4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine
SMILESNC(=CC=Nc1cccc(C(Cc2ccccc2)(Cc2ccccc2)c2cccc(N=CC=C(N)C(F)(F)F)n2)n1)C(F)(F)F
InChIInChI=1S/C33H28F6N6/c34-32(35,36)25(40)17-19-42-29-15-7-13-27(44-29)31(21-23-9-3-1-4-10-23,22-24-11-5-2-6-12-24)28-14-8-16-30(45-28)43-20-18-26(41)33(37,38)39/h1-20H,21-22,40-41H2
InChIKeyBNCNYLLLSYSTKL-UHFFFAOYSA-N
MW622.62 g/mol
LogP7.46
Rot. Bonds10

About 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine

4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine (PubChem CID 59357078) has the molecular formula C33H28F6N6 and a molecular weight of 622.62 g/mol. Its IUPAC name is 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine.

Molecular Properties

Compound Name4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine
PubChem CID59357078
Molecular FormulaC33H28F6N6
Molecular Weight622.62 g/mol
Exact Mass622.23
IUPAC Name4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine
SMILESNC(=CC=Nc1cccc(C(Cc2ccccc2)(Cc2ccccc2)c2cccc(N=CC=C(N)C(F)(F)F)n2)n1)C(F)(F)F
InChIInChI=1S/C33H28F6N6/c34-32(35,36)25(40)17-19-42-29-15-7-13-27(44-29)31(21-23-9-3-1-4-10-23,22-24-11-5-2-6-12-24)28-14-8-16-30(45-28)43-20-18-26(41)33(37,38)39/h1-20H,21-22,40-41H2
InChIKeyBNCNYLLLSYSTKL-UHFFFAOYSA-N
XLogP7.46
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500622.62
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[6-[2-[6-[(3-amino-3-phenylprop-2-enylidene)amino]-2-pyridinyl]propan-2-yl]-2-pyridinyl]imino]-1-phenylprop-1-en-1-amine
CID 140582162
(2R)-2-hydroxy-2-methyl-3-phenylpropanamide
CID 11389739
(2R)-2-amino-2-benzyl-3,3,3-trifluoropropanamide
CID 135070263
N-[2-(6-methyl-2-pyridinyl)-3-phenyl-2-[3-(trifluoromethyl)phenyl]propyl]-3-(trifluoromethyl)benzamide
CID 149093732
CID 162614832
CID 162614832
2,2-difluorobutylbenzene
CID 12695736
(4,4-difluoro-2,2-dimethylpentyl)benzene
CID 155030658
1-[3-[(1-ethylcyclopentyl)methyl]phenyl]imino-4-[6-[3-[(1-ethylcyclopentyl)methyl]phenyl]-2-pyridinyl]-4-methylpent-2-en-3-amine
CID 140585367
1,1,1,2-tetrafluoro-3-phenylpropan-2-amine
CID 174465813
(5,5,5-trifluoro-4-methylpent-3-enyl)benzene
CID 131871830
2,2-dichloro-3-phenylpropanamide
CID 21425793
(2R)-2-amino-2-fluoro-3-phenylpropanoic acid
CID 54456970

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine?
The IUPAC name of 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine (CID 59357078) is 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine.
What is the SMILES notation for 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine?
The canonical SMILES for 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine is NC(=CC=Nc1cccc(C(Cc2ccccc2)(Cc2ccccc2)c2cccc(N=CC=C(N)C(F)(F)F)n2)n1)C(F)(F)F.
What is the InChIKey of 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine?
The InChIKey is BNCNYLLLSYSTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28F6N6/c34-32(35,36)25(40)17-19-42-29-15-7-13-27(44-29)31(21-23-9-3-1-4-10-23,22-24-11-5-2-6-12-24)28-14-8-16-30(45-28)43-20-18-26(41)33(37,38)39/h1-20H,21-22,40-41H2.
What are the key properties of 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine?
4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine has a molecular weight of 622.62 g/mol, XLogP of 7.46, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[2-[6-[(3-amino-4,4,4-trifluorobut-2-enylidene)amino]-2-pyridinyl]-1,3-diphenylpropan-2-yl]-2-pyridinyl]imino]-1,1,1-trifluorobut-2-en-2-amine is sourced from PubChem (CID 59357078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).