N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine

C28H25FN4 — CID 142560199

IUPACN-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESC=C/C=C\N=C\C.Cc1c(F)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H16FN3.C6H9N/c1-15-18(13-8-14-19(15)23)22-25-20(16-9-4-2-5-10-16)24-21(26-22)17-11-6-3-7-12-17;1-3-5-6-7-4-2/h2-14H,1H3;3-6H,1H2,2H3/b;6-5-,7-4+
InChIKeyPPTNVXDOVRRHEW-UUTYJRQOSA-N
MW436.53 g/mol
LogP7.10
Rot. Bonds5

About N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine

N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 142560199) has the molecular formula C28H25FN4 and a molecular weight of 436.53 g/mol. Its IUPAC name is N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound NameN-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID142560199
Molecular FormulaC28H25FN4
Molecular Weight436.53 g/mol
Exact Mass436.21
IUPAC NameN-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESC=C/C=C\N=C\C.Cc1c(F)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H16FN3.C6H9N/c1-15-18(13-8-14-19(15)23)22-25-20(16-9-4-2-5-10-16)24-21(26-22)17-11-6-3-7-12-17;1-3-5-6-7-4-2/h2-14H,1H3;3-6H,1H2,2H3/b;6-5-,7-4+
InChIKeyPPTNVXDOVRRHEW-UUTYJRQOSA-N
XLogP7.10
TPSA51.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.53
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine with MolForge

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Related Compounds

2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 138579162
2-[2-[(1Z)-buta-1,3-dienyl]-3-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-benzofuran-4-yl]-4,6-diphenyl-1,3,5-triazine
CID 138671668
2-(2-ethenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 146639140
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-(2-fluorophenyl)-4-phenyl-6-[3-(6-phenyldibenzothiophen-4-yl)phenyl]-1,3,5-triazine
CID 177130492
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088
2-[5-[2-[2-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)-4-fluorophenyl]phenyl]phenyl]-2-fluorophenyl]-4,6-diphenyl-1,3,5-triazine
CID 154967458
2-dibenzofuran-1-yl-4-(6-fluorodibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 156521704
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol;platinum
CID 135975715
2-(2,3-diphenylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 171052479
2-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-3-phenylphenyl]-4,6-diphenyl-1,3,5-triazine
CID 122423525
2,4-bis(2,4-difluorophenyl)-6-phenyl-1,3,5-triazine
CID 138569840

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine (CID 142560199) is N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine is C=C/C=C\N=C\C.Cc1c(F)cccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is PPTNVXDOVRRHEW-UUTYJRQOSA-N. The full InChI is InChI=1S/C22H16FN3.C6H9N/c1-15-18(13-8-14-19(15)23)22-25-20(16-9-4-2-5-10-16)24-21(26-22)17-11-6-3-7-12-17;1-3-5-6-7-4-2/h2-14H,1H3;3-6H,1H2,2H3/b;6-5-,7-4+.
What are the key properties of N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine?
N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 436.53 g/mol, XLogP of 7.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-buta-1,3-dienyl]ethanimine;2-(3-fluoro-2-methylphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 142560199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).