2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine

C33H21F3N4O2 — CID 140701130

IUPAC2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine
SMILES[H]/N=C(/C=C(\N)c1cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)ccn1)C(F)(F)F
InChIInChI=1S/C33H21F3N4O2/c34-33(35,36)32(38)18-26(37)27-16-21(13-14-39-27)40(19-10-12-30-25(15-19)23-6-2-4-8-29(23)41-30)20-9-11-24-22-5-1-3-7-28(22)42-31(24)17-20/h1-18,38H,37H2/b26-18-,38-32-
InChIKeyOHWWANOKWBQLCA-IKARVWLQSA-N
MW562.55 g/mol
LogP9.23
Rot. Bonds5

About 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine

2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine (PubChem CID 140701130) has the molecular formula C33H21F3N4O2 and a molecular weight of 562.55 g/mol. Its IUPAC name is 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine.

Molecular Properties

Compound Name2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine
PubChem CID140701130
Molecular FormulaC33H21F3N4O2
Molecular Weight562.55 g/mol
Exact Mass562.16
IUPAC Name2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine
SMILES[H]/N=C(/C=C(\N)c1cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)ccn1)C(F)(F)F
InChIInChI=1S/C33H21F3N4O2/c34-33(35,36)32(38)18-26(37)27-16-21(13-14-39-27)40(19-10-12-30-25(15-19)23-6-2-4-8-29(23)41-30)20-9-11-24-22-5-1-3-7-28(22)42-31(24)17-20/h1-18,38H,37H2/b26-18-,38-32-
InChIKeyOHWWANOKWBQLCA-IKARVWLQSA-N
XLogP9.23
TPSA92.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500562.55
LogP ≤ 59.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine with MolForge

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Related Compounds

N-Dibenzofuran-3-yl-nicotinamide
CID 644729
N-dibenzo[b,d]furan-3-ylisonicotinamide
CID 2833465
N-dibenzofuran-3-yl-2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]acetamide
CID 127028963
N-dibenzofuran-3-yl-2-[4-(2-methyl-4-pyridinyl)phenyl]acetamide
CID 127029526
N-[(1R)-1-deuterio-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]-2-oxo-1-pyridin-3-ylethyl]-N-dibenzofuran-3-yl-2-oxopropanamide
CID 168275248
(1)Benzofuro(3,2-g)pyrrolo(1,2-a)quinoxaline
CID 335655
(3-(1H-Pyrrol-1-yl)dibenzo(b,d)furan-2-yl)amine
CID 335813
US10081629, Example 48
CID 126511276
4-N-[(3-aminophenyl)methyl]-[1]benzofuro[2,3-b]pyridine-4,6-diamine
CID 145978562
4-Phenyl(1)benzofuro(3,2-g)pyrrolo(1,2-a)quinoxaline
CID 335654
(1)Benzofuro(3,2-g)pyrrolo(1,2-a)quinoxalin-4(5H)-one
CID 335859
4-Methyl(1)benzofuro(3,2-g)pyrrolo(1,2-a)quinoxaline
CID 335656

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine?
The IUPAC name of 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine (CID 140701130) is 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine.
What is the SMILES notation for 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine?
The canonical SMILES for 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine is [H]/N=C(/C=C(\N)c1cc(N(c2ccc3c(c2)oc2ccccc23)c2ccc3oc4ccccc4c3c2)ccn1)C(F)(F)F.
What is the InChIKey of 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine?
The InChIKey is OHWWANOKWBQLCA-IKARVWLQSA-N. The full InChI is InChI=1S/C33H21F3N4O2/c34-33(35,36)32(38)18-26(37)27-16-21(13-14-39-27)40(19-10-12-30-25(15-19)23-6-2-4-8-29(23)41-30)20-9-11-24-22-5-1-3-7-28(22)42-31(24)17-20/h1-18,38H,37H2/b26-18-,38-32-.
What are the key properties of 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine?
2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine has a molecular weight of 562.55 g/mol, XLogP of 9.23, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-amino-4,4,4-trifluoro-3-iminobut-1-enyl]-N-dibenzofuran-2-yl-N-dibenzofuran-3-ylpyridin-4-amine is sourced from PubChem (CID 140701130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).