2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole

C79H53N3O6 — CID 159265419

IUPAC2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole
SMILESCc1ccc(C)c2oc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc12.Cc1ccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc2c1.Cc1cccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc12
InChIInChI=1S/C27H19NO2.2C26H17NO2/c1-16-10-11-17(2)25-24(16)28-27(30-25)19-14-12-18(13-15-19)20-7-5-8-22-21-6-3-4-9-23(21)29-26(20)22;1-16-6-4-10-22-24(16)29-26(27-22)18-14-12-17(13-15-18)19-8-5-9-21-20-7-2-3-11-23(20)28-25(19)21;1-16-9-14-22-24(15-16)29-26(27-22)18-12-10-17(11-13-18)19-6-4-7-21-20-5-2-3-8-23(20)28-25(19)21/h3-15H,1-2H3;2*2-15H,1H3
InChIKeyKXAPETUDSGBZRA-UHFFFAOYSA-N
MW1140.31 g/mol
LogP22.42
Rot. Bonds6

About 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole

2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole (PubChem CID 159265419) has the molecular formula C79H53N3O6 and a molecular weight of 1140.31 g/mol. Its IUPAC name is 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole
PubChem CID159265419
Molecular FormulaC79H53N3O6
Molecular Weight1140.31 g/mol
Exact Mass1139.39
IUPAC Name2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole
SMILESCc1ccc(C)c2oc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc12.Cc1ccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc2c1.Cc1cccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc12
InChIInChI=1S/C27H19NO2.2C26H17NO2/c1-16-10-11-17(2)25-24(16)28-27(30-25)19-14-12-18(13-15-19)20-7-5-8-22-21-6-3-4-9-23(21)29-26(20)22;1-16-6-4-10-22-24(16)29-26(27-22)18-14-12-17(13-15-18)19-8-5-9-21-20-7-2-3-11-23(20)28-25(19)21;1-16-9-14-22-24(15-16)29-26(27-22)18-12-10-17(11-13-18)19-6-4-7-21-20-5-2-3-8-23(20)28-25(19)21/h3-15H,1-2H3;2*2-15H,1H3
InChIKeyKXAPETUDSGBZRA-UHFFFAOYSA-N
XLogP22.42
TPSA117.51 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms88
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001140.31
LogP ≤ 522.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole with MolForge

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Related Compounds

2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9-dimethylfluoren-2-yl)-1,3-benzoxazole
CID 67888519
2-(4-dibenzofuran-4-ylphenyl)-7-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 67888522
2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
CID 171760846
2-[4-(1,3-benzoxazol-2-yl)phenyl]-6-methyl-1,3-benzoxazole;methanamine;6-methyl-2-phenyl-1,3-benzoxazole;2-(4-methylphenyl)-6-phenyl-[1,3]oxazolo[5,4-f][1,3]benzoxazole
CID 162036197
2-methyl-6-(4-methylphenyl)dibenzofuran
CID 134235595
7-methyl-2-(4-phenylphenyl)-1,3-benzoxazole
CID 15259011
6-(3-dibenzofuran-4-ylphenyl)-2,4-bis(4-phenylphenyl)-1,3-benzoxazole
CID 137473418
2-[4-[2-[2-(4-carbazol-9-ylphenyl)phenyl]phenyl]phenyl]-6-methyl-1,3-benzoxazole
CID 143952806
7-(4-carbazol-9-yl-6-dibenzofuran-4-yl-1,3,5-triazin-2-yl)-2-(3,5-dimethylphenyl)-1,3-benzoxazole
CID 176756182
7-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)-2-phenyl-[1]benzofuro[2,3-g][1,3]benzoxazole
CID 174288773
4-[3-[3-(4-methylphenyl)phenyl]phenyl]dibenzofuran
CID 67964725

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole?
The IUPAC name of 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole (CID 159265419) is 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole?
The canonical SMILES for 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole is Cc1ccc(C)c2oc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)nc12.Cc1ccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc2c1.Cc1cccc2nc(-c3ccc(-c4cccc5c4oc4ccccc45)cc3)oc12.
What is the InChIKey of 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole?
The InChIKey is KXAPETUDSGBZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19NO2.2C26H17NO2/c1-16-10-11-17(2)25-24(16)28-27(30-25)19-14-12-18(13-15-19)20-7-5-8-22-21-6-3-4-9-23(21)29-26(20)22;1-16-6-4-10-22-24(16)29-26(27-22)18-14-12-17(13-15-18)19-8-5-9-21-20-7-2-3-11-23(20)28-25(19)21;1-16-9-14-22-24(15-16)29-26(27-22)18-12-10-17(11-13-18)19-6-4-7-21-20-5-2-3-8-23(20)28-25(19)21/h3-15H,1-2H3;2*2-15H,1H3.
What are the key properties of 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole?
2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole has a molecular weight of 1140.31 g/mol, XLogP of 22.42, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-4-ylphenyl)-4,7-dimethyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-6-methyl-1,3-benzoxazole;2-(4-dibenzofuran-4-ylphenyl)-7-methyl-1,3-benzoxazole is sourced from PubChem (CID 159265419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).