8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole

C110H66N6O5S — CID 160862639

IUPAC8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(ccc4ccc(-c5ccc6ccccc6n5)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc6c5oc5ccccc56)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc6c5sc5ccccc56)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5nccc6ccccc56)cc43)o2)cc1
InChIInChI=1S/C29H17NO2.C29H17NOS.2C26H16N2O/c1-2-7-19(8-3-1)29-30-27-24-17-20(14-13-18(24)15-16-26(27)32-29)21-10-6-11-23-22-9-4-5-12-25(22)31-28(21)23;1-2-7-19(8-3-1)29-30-27-24-17-20(14-13-18(24)15-16-25(27)31-29)21-10-6-11-23-22-9-4-5-12-26(22)32-28(21)23;1-2-7-19(8-3-1)26-28-25-21-16-20(11-10-17(21)13-15-24(25)29-26)23-14-12-18-6-4-5-9-22(18)27-23;1-2-7-19(8-3-1)26-28-25-22-16-20(11-10-18(22)12-13-23(25)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h2*1-17H;2*1-16H
InChIKeySKRNXPQARMNTSJ-UHFFFAOYSA-N
MW1583.84 g/mol
LogP30.62
Rot. Bonds8

About 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole

8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole (PubChem CID 160862639) has the molecular formula C110H66N6O5S and a molecular weight of 1583.84 g/mol. Its IUPAC name is 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole.

Molecular Properties

Compound Name8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole
PubChem CID160862639
Molecular FormulaC110H66N6O5S
Molecular Weight1583.84 g/mol
Exact Mass1582.48
IUPAC Name8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole
SMILESc1ccc(-c2nc3c(ccc4ccc(-c5ccc6ccccc6n5)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc6c5oc5ccccc56)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc6c5sc5ccccc56)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5nccc6ccccc56)cc43)o2)cc1
InChIInChI=1S/C29H17NO2.C29H17NOS.2C26H16N2O/c1-2-7-19(8-3-1)29-30-27-24-17-20(14-13-18(24)15-16-26(27)32-29)21-10-6-11-23-22-9-4-5-12-25(22)31-28(21)23;1-2-7-19(8-3-1)29-30-27-24-17-20(14-13-18(24)15-16-25(27)31-29)21-10-6-11-23-22-9-4-5-12-26(22)32-28(21)23;1-2-7-19(8-3-1)26-28-25-21-16-20(11-10-17(21)13-15-24(25)29-26)23-14-12-18-6-4-5-9-22(18)27-23;1-2-7-19(8-3-1)26-28-25-22-16-20(11-10-18(22)12-13-23(25)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h2*1-17H;2*1-16H
InChIKeySKRNXPQARMNTSJ-UHFFFAOYSA-N
XLogP30.62
TPSA143.04 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds8
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001583.84
LogP ≤ 530.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole with MolForge

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Related Compounds

8-dibenzofuran-4-yl-2-phenylbenzo[g][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[g][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[g][1,3]benzoxazole;2-phenyl-8-(4-phenylquinazolin-2-yl)benzo[g][1,3]benzoxazole;2-phenyl-8-(3-phenylquinoxalin-2-yl)benzo[g][1,3]benzoxazole
CID 160861066
8-(3-dibenzofuran-4-ylphenyl)-4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-dibenzothiophen-4-yl-4-[4-(3-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine;8-(3-dibenzothiophen-4-ylphenyl)-4-[3-(4-dibenzothiophen-4-ylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 159560395
2-(4-dibenzofuran-4-ylphenyl)-4-(3-dibenzothiophen-4-ylphenyl)-6-phenyl-1,3,5-triazine
CID 130288940
4-[3-(3-dibenzothiophen-4-ylphenyl)phenyl]-8-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 162485304
3-[3-dibenzofuran-1-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-dibenzofuran-2-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-dibenzothiophen-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 161029896
7-(3-dibenzofuran-4-ylphenyl)-2-phenylbenzo[g][1,3]benzoxazole;7-(3-dibenzothiophen-4-ylphenyl)-2-phenylbenzo[g][1,3]benzoxazole;8-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-phenylbenzo[e][1,3]benzothiazole;2-phenyl-7-[3-(4-phenylquinazolin-2-yl)phenyl]benzo[g][1,3]benzoxazole;2-phenyl-7-[3-(3-phenylquinoxalin-2-yl)phenyl]benzo[g][1,3]benzoxazole
CID 160756920
(8-dibenzofuran-4-yldibenzofuran-4-yl)-(8-dibenzothiophen-4-yldibenzofuran-4-yl)-diphenylsilane
CID 140811543
4-(3-dibenzothiophen-4-ylphenyl)-8-[3-phenyl-5-(4-phenylphenyl)phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 170655080
2-(3-dibenzofuran-4-ylphenyl)-4-dibenzothiophen-4-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 171445309
3-dibenzothiophen-4-yl-N-[4-(2-phenyl-[1]benzofuro[3,2-e][1,3]benzoxazol-9-yl)phenyl]-N-(4-phenylphenyl)aniline
CID 167123440
4-[3-[11-(3-dibenzothiophen-4-ylphenyl)triphenylen-2-yl]phenyl]dibenzothiophene;2-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-(3-triphenylen-2-ylphenyl)dibenzothiophene;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzofuran;4-[3-(3-triphenylen-2-ylphenyl)phenyl]dibenzothiophene
CID 158785351
2-(3-dibenzofuran-4-ylphenyl)-4,6-diphenyl-1,3,5-triazine;2-dibenzothiophen-4-yl-4,6-diphenyl-1,3,5-triazine
CID 144953430

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole?
The IUPAC name of 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole (CID 160862639) is 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole.
What is the SMILES notation for 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole?
The canonical SMILES for 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole is c1ccc(-c2nc3c(ccc4ccc(-c5ccc6ccccc6n5)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc6c5oc5ccccc56)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5cccc6c5sc5ccccc56)cc43)o2)cc1.c1ccc(-c2nc3c(ccc4ccc(-c5nccc6ccccc56)cc43)o2)cc1.
What is the InChIKey of 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole?
The InChIKey is SKRNXPQARMNTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H17NO2.C29H17NOS.2C26H16N2O/c1-2-7-19(8-3-1)29-30-27-24-17-20(14-13-18(24)15-16-26(27)32-29)21-10-6-11-23-22-9-4-5-12-25(22)31-28(21)23;1-2-7-19(8-3-1)29-30-27-24-17-20(14-13-18(24)15-16-25(27)31-29)21-10-6-11-23-22-9-4-5-12-26(22)32-28(21)23;1-2-7-19(8-3-1)26-28-25-21-16-20(11-10-17(21)13-15-24(25)29-26)23-14-12-18-6-4-5-9-22(18)27-23;1-2-7-19(8-3-1)26-28-25-22-16-20(11-10-18(22)12-13-23(25)29-26)24-21-9-5-4-6-17(21)14-15-27-24/h2*1-17H;2*1-16H.
What are the key properties of 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole?
8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole has a molecular weight of 1583.84 g/mol, XLogP of 30.62, 8 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-dibenzothiophen-4-yl-2-phenylbenzo[e][1,3]benzoxazole;8-isoquinolin-1-yl-2-phenylbenzo[e][1,3]benzoxazole;2-phenyl-8-quinolin-2-ylbenzo[e][1,3]benzoxazole is sourced from PubChem (CID 160862639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).