2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine

C28H21N3O — CID 155357125

IUPAC2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC=c1oc2ccccc2/c1=C/C=C(\C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H21N3O/c1-19(17-18-23-20(2)32-25-16-10-9-15-24(23)25)26-29-27(21-11-5-3-6-12-21)31-28(30-26)22-13-7-4-8-14-22/h3-18H,2H2,1H3/b19-17+,23-18+
InChIKeyIWULRHQFRGYZGY-NBBPKVEDSA-N
MW415.50 g/mol
LogP5.25
Rot. Bonds4

About 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine

2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine (PubChem CID 155357125) has the molecular formula C28H21N3O and a molecular weight of 415.50 g/mol. Its IUPAC name is 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine
PubChem CID155357125
Molecular FormulaC28H21N3O
Molecular Weight415.50 g/mol
Exact Mass415.17
IUPAC Name2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine
SMILESC=c1oc2ccccc2/c1=C/C=C(\C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C28H21N3O/c1-19(17-18-23-20(2)32-25-16-10-9-15-24(23)25)26-29-27(21-11-5-3-6-12-21)31-28(30-26)22-13-7-4-8-14-22/h3-18H,2H2,1H3/b19-17+,23-18+
InChIKeyIWULRHQFRGYZGY-NBBPKVEDSA-N
XLogP5.25
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-dibenzofuran-1-ylphenyl)-4,6-diphenyl-1,3,5-triazine
CID 118507613
bromomethane;2-[(2E,4Z)-hepta-2,4-dien-6-yn-2-yl]-4,6-diphenyl-1,3,5-triazine
CID 145073108
9-[6-[4-[(2E,4Z)-hexa-2,4-dien-2-yl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-1-yl]carbazole
CID 167223794
4-methyl-2-(4-phenylphenyl)-[1]benzofuro[2,3-d]pyrimidine
CID 130265836
2-dibenzofuran-3-yl-4-(4-phenylphenyl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138729899
2-dibenzofuran-3-yl-4-phenyl-6-[4-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine
CID 138729900
2-[(3E)-hexa-1,3,5-trien-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 134447786
2-(7-dibenzofuran-3-yldibenzofuran-3-yl)-4,6-diphenyl-1,3,5-triazine
CID 147277372
2,4-di(dibenzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 138730102
2-[9-(2-dibenzofuran-1-ylphenyl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 176773441
2-phenyl-4,6-bis(1-phenyldibenzofuran-3-yl)-1,3,5-triazine
CID 155380232
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294

Frequently Asked Questions

What is the IUPAC name of 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine (CID 155357125) is 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine is C=c1oc2ccccc2/c1=C/C=C(\C)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine?
The InChIKey is IWULRHQFRGYZGY-NBBPKVEDSA-N. The full InChI is InChI=1S/C28H21N3O/c1-19(17-18-23-20(2)32-25-16-10-9-15-24(23)25)26-29-27(21-11-5-3-6-12-21)31-28(30-26)22-13-7-4-8-14-22/h3-18H,2H2,1H3/b19-17+,23-18+.
What are the key properties of 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine?
2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine has a molecular weight of 415.50 g/mol, XLogP of 5.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E,4Z)-4-(2-methylidene-1-benzofuran-3-ylidene)but-2-en-2-yl]-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 155357125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).