2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole

C28H18N4O2 — CID 155028598

IUPAC2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESc1ccc(C2=NC(c3nc4cc5c(cc4o3)oc3ccccc35)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C28H18N4O2/c1-3-9-17(10-4-1)25-30-26(18-11-5-2-6-12-18)32-27(31-25)28-29-21-15-20-19-13-7-8-14-22(19)33-23(20)16-24(21)34-28/h1-16,27H,(H,30,31,32)
InChIKeyGIFYEHMRALXYCO-UHFFFAOYSA-N
MW442.48 g/mol
LogP6.22
Rot. Bonds3

About 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole

2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole (PubChem CID 155028598) has the molecular formula C28H18N4O2 and a molecular weight of 442.48 g/mol. Its IUPAC name is 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole.

Molecular Properties

Compound Name2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
PubChem CID155028598
Molecular FormulaC28H18N4O2
Molecular Weight442.48 g/mol
Exact Mass442.14
IUPAC Name2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole
SMILESc1ccc(C2=NC(c3nc4cc5c(cc4o3)oc3ccccc35)N=C(c3ccccc3)N2)cc1
InChIInChI=1S/C28H18N4O2/c1-3-9-17(10-4-1)25-30-26(18-11-5-2-6-12-18)32-27(31-25)28-29-21-15-20-19-13-7-8-14-22(19)33-23(20)16-24(21)34-28/h1-16,27H,(H,30,31,32)
InChIKeyGIFYEHMRALXYCO-UHFFFAOYSA-N
XLogP6.22
TPSA75.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.48
LogP ≤ 56.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-dibenzofuran-3-yl-6-phenyl-4-(7-triphenylen-2-yldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961195
4-(8-dibenzofuran-2-yldibenzofuran-1-yl)-2-phenyl-6-(4-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 170248098
2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-5-phenyl-[1,3]oxazolo[4,5-b]phenoxazine
CID 155028602
4-dibenzofuran-3-yl-2-(5-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170295943
7-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[2,3-b]carbazole
CID 163775773
4-dibenzofuran-3-yl-2-phenyl-6-(9-phenyldibenzofuran-3-yl)-1,4-dihydro-1,3,5-triazine
CID 166961082
2-dibenzofuran-2-yl-4-(7-phenyldibenzofuran-1-yl)-6-(3-phenylphenyl)-1,4-dihydro-1,3,5-triazine
CID 167029928
4-[3-[3-(3-naphtho[2,3-b][1]benzofuran-3-ylphenyl)phenyl]phenyl]-2,6-diphenyl-1,4-dihydro-1,3,5-triazine
CID 134299619
11-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-15,25-dioxa-11-azaheptacyclo[14.11.0.02,14.04,12.05,10.018,26.019,24]heptacosa-1(16),2(14),3,5,7,9,12,17,19,21,23,26-dodecaene
CID 118312871
4-dibenzofuran-2-yl-2-(7-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,4-dihydro-1,3,5-triazine
CID 170249185
4-dibenzofuran-3-yl-2-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-1-yl]-1,4-dihydro-1,3,5-triazine
CID 170249363
3-[6-[3-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)phenyl]quinoxalin-2-yl]-[1]benzofuro[3,2-c]pyridine
CID 168747063

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole?
The IUPAC name of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole (CID 155028598) is 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole.
What is the SMILES notation for 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole?
The canonical SMILES for 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole is c1ccc(C2=NC(c3nc4cc5c(cc4o3)oc3ccccc35)N=C(c3ccccc3)N2)cc1.
What is the InChIKey of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole?
The InChIKey is GIFYEHMRALXYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18N4O2/c1-3-9-17(10-4-1)25-30-26(18-11-5-2-6-12-18)32-27(31-25)28-29-21-15-20-19-13-7-8-14-22(19)33-23(20)16-24(21)34-28/h1-16,27H,(H,30,31,32).
What are the key properties of 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole?
2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole has a molecular weight of 442.48 g/mol, XLogP of 6.22, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-diphenyl-1,4-dihydro-1,3,5-triazin-4-yl)-[1]benzofuro[3,2-f][1,3]benzoxazole is sourced from PubChem (CID 155028598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).