6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde

C94H70F12N6O4 — CID 158452293

IUPAC6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde
SMILESC=Cc1ccc(C(F)(F)F)c(/C=C/c2cccc(-c3ccc4nc(C)oc4c3)c2C)c1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)=NC(C)N=2.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cccnc1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cnccn1
InChIInChI=1S/C26H20F3NO.C25H19F3N2O.C22H16F3NO.C21H15F3N2O/c1-4-18-8-12-23(26(27,28)29)21(14-18)10-9-19-6-5-7-22(16(19)2)20-11-13-24-25(15-20)31-17(3)30-24;1-15-18(7-8-20-12-17(14-31)6-10-22(20)25(26,27)28)4-3-5-21(15)19-9-11-23-24(13-19)30-16(2)29-23;1-15-17(4-2-6-20(15)19-5-3-11-26-13-19)8-9-18-12-16(14-27)7-10-21(18)22(23,24)25;1-14-16(3-2-4-18(14)20-12-25-9-10-26-20)6-7-17-11-15(13-27)5-8-19(17)21(22,23)24/h4-15H,1H2,2-3H3;3-14,16H,1-2H3;2-14H,1H3;2-13H,1H3/b10-9+;8-7+;9-8+;7-6+
InChIKeyHEDKNWVOTJSSPU-MXJIBCMHSA-N
MW1575.61 g/mol
LogP24.72
Rot. Bonds16

About 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde

6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde (PubChem CID 158452293) has the molecular formula C94H70F12N6O4 and a molecular weight of 1575.61 g/mol. Its IUPAC name is 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde
PubChem CID158452293
Molecular FormulaC94H70F12N6O4
Molecular Weight1575.61 g/mol
Exact Mass1574.53
IUPAC Name6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde
SMILESC=Cc1ccc(C(F)(F)F)c(/C=C/c2cccc(-c3ccc4nc(C)oc4c3)c2C)c1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)=NC(C)N=2.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cccnc1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cnccn1
InChIInChI=1S/C26H20F3NO.C25H19F3N2O.C22H16F3NO.C21H15F3N2O/c1-4-18-8-12-23(26(27,28)29)21(14-18)10-9-19-6-5-7-22(16(19)2)20-11-13-24-25(15-20)31-17(3)30-24;1-15-18(7-8-20-12-17(14-31)6-10-22(20)25(26,27)28)4-3-5-21(15)19-9-11-23-24(13-19)30-16(2)29-23;1-15-17(4-2-6-20(15)19-5-3-11-26-13-19)8-9-18-12-16(14-27)7-10-21(18)22(23,24)25;1-14-16(3-2-4-18(14)20-12-25-9-10-26-20)6-7-17-11-15(13-27)5-8-19(17)21(22,23)24/h4-15H,1H2,2-3H3;3-14,16H,1-2H3;2-14H,1H3;2-13H,1H3/b10-9+;8-7+;9-8+;7-6+
InChIKeyHEDKNWVOTJSSPU-MXJIBCMHSA-N
XLogP24.72
TPSA140.63 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds16
Heavy Atoms116
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001575.61
LogP ≤ 524.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde (CID 158452293) is 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde is C=Cc1ccc(C(F)(F)F)c(/C=C/c2cccc(-c3ccc4nc(C)oc4c3)c2C)c1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1ccc2c(c1)=NC(C)N=2.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cccnc1.Cc1c(/C=C/c2cc(C=O)ccc2C(F)(F)F)cccc1-c1cnccn1.
What is the InChIKey of 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde?
The InChIKey is HEDKNWVOTJSSPU-MXJIBCMHSA-N. The full InChI is InChI=1S/C26H20F3NO.C25H19F3N2O.C22H16F3NO.C21H15F3N2O/c1-4-18-8-12-23(26(27,28)29)21(14-18)10-9-19-6-5-7-22(16(19)2)20-11-13-24-25(15-20)31-17(3)30-24;1-15-18(7-8-20-12-17(14-31)6-10-22(20)25(26,27)28)4-3-5-21(15)19-9-11-23-24(13-19)30-16(2)29-23;1-15-17(4-2-6-20(15)19-5-3-11-26-13-19)8-9-18-12-16(14-27)7-10-21(18)22(23,24)25;1-14-16(3-2-4-18(14)20-12-25-9-10-26-20)6-7-17-11-15(13-27)5-8-19(17)21(22,23)24/h4-15H,1H2,2-3H3;3-14,16H,1-2H3;2-14H,1H3;2-13H,1H3/b10-9+;8-7+;9-8+;7-6+.
What are the key properties of 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde?
6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde has a molecular weight of 1575.61 g/mol, XLogP of 24.72, 16 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[(E)-2-[5-ethenyl-2-(trifluoromethyl)phenyl]ethenyl]-2-methylphenyl]-2-methyl-1,3-benzoxazole;3-[(E)-2-[2-methyl-3-(2-methyl-2H-benzimidazol-5-yl)phenyl]ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyrazin-2-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde;3-[(E)-2-(2-methyl-3-pyridin-3-ylphenyl)ethenyl]-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 158452293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).