ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine

C25H26F3N3 — CID 144615931

IUPACethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESC/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2cc(C)cc(C(F)(F)F)c2)n1.CC
InChIInChI=1S/C23H20F3N3.C2H6/c1-4-9-16(5-2)20-27-21(17-10-7-6-8-11-17)29-22(28-20)18-12-15(3)13-19(14-18)23(24,25)26;1-2/h4-14H,1-3H3;1-2H3/b9-4-,16-5+;
InChIKeyPLBACTVUNACWSE-FXBAXAPZSA-N
MW425.50 g/mol
LogP7.54
Rot. Bonds4

About ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine

ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine (PubChem CID 144615931) has the molecular formula C25H26F3N3 and a molecular weight of 425.50 g/mol. Its IUPAC name is ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine.

Molecular Properties

Compound Nameethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine
PubChem CID144615931
Molecular FormulaC25H26F3N3
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Nameethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine
SMILESC/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2cc(C)cc(C(F)(F)F)c2)n1.CC
InChIInChI=1S/C23H20F3N3.C2H6/c1-4-9-16(5-2)20-27-21(17-10-7-6-8-11-17)29-22(28-20)18-12-15(3)13-19(14-18)23(24,25)26;1-2/h4-14H,1-3H3;1-2H3/b9-4-,16-5+;
InChIKeyPLBACTVUNACWSE-FXBAXAPZSA-N
XLogP7.54
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.50
LogP ≤ 57.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-(6-methylnaphthalen-2-yl)-6-phenyl-1,3,5-triazine
CID 143444775
2-(4-bromophenyl)-4-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenyl-1,3,5-triazine;ethane
CID 145257402
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[2-(4-methyl-2-pyridinyl)-4-pyridinyl]-6-phenyl-1,3,5-triazine
CID 144875855
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;methane;propane;prop-1-ene
CID 145452849
2-[(2E,4Z)-hepta-2,4-dien-3-yl]-4-(4-methylphenyl)-6-phenyl-1,3,5-triazine
CID 144632071
1-methyl-3-phenyl-5-(trifluoromethyl)benzene
CID 46315073
2-[(2E,4Z,6Z)-octa-2,4,6-trien-3-yl]-4-[(2Z,4E,6Z)-octa-2,4,6-trien-4-yl]-6-phenyl-1,3,5-triazine
CID 135197445
2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-phenyl-6-[4-[6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 121257999
4-[9,9-difluoro-6-[2-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-phenylpyrimidin-4-yl]fluoren-3-yl]-2,6-diphenylpyrimidine
CID 135247117
ethane;2-[4-[(2Z,4E)-hepta-2,4-dien-4-yl]phenyl]-4-(3-methylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine;propane
CID 145452765
2-[(E)-but-2-en-2-yl]-4-[3-(3,5-ditert-butylphenyl)-5-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 164834086
2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186086

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine?
The IUPAC name of ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine (CID 144615931) is ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine.
What is the SMILES notation for ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine?
The canonical SMILES for ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine is C/C=C\C(=C/C)c1nc(-c2ccccc2)nc(-c2cc(C)cc(C(F)(F)F)c2)n1.CC.
What is the InChIKey of ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine?
The InChIKey is PLBACTVUNACWSE-FXBAXAPZSA-N. The full InChI is InChI=1S/C23H20F3N3.C2H6/c1-4-9-16(5-2)20-27-21(17-10-7-6-8-11-17)29-22(28-20)18-12-15(3)13-19(14-18)23(24,25)26;1-2/h4-14H,1-3H3;1-2H3/b9-4-,16-5+;.
What are the key properties of ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine?
ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine has a molecular weight of 425.50 g/mol, XLogP of 7.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(2E,4Z)-hexa-2,4-dien-3-yl]-4-[3-methyl-5-(trifluoromethyl)phenyl]-6-phenyl-1,3,5-triazine is sourced from PubChem (CID 144615931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).