3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol

C26H14N2O4 — CID 135841605

IUPAC3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol
SMILESOc1cc2c(cc1-c1nc3ccccc3o1)oc1c(-c3nc4ccccc4o3)cccc12
InChIInChI=1S/C26H14N2O4/c29-20-12-16-14-6-5-7-15(25-27-18-8-1-3-10-21(18)31-25)24(14)30-23(16)13-17(20)26-28-19-9-2-4-11-22(19)32-26/h1-13,29H
InChIKeyBATJMCJDFBOENQ-UHFFFAOYSA-N
MW418.41 g/mol
LogP6.91
Rot. Bonds2

About 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol

3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol (PubChem CID 135841605) has the molecular formula C26H14N2O4 and a molecular weight of 418.41 g/mol. Its IUPAC name is 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol.

Molecular Properties

Compound Name3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol
PubChem CID135841605
Molecular FormulaC26H14N2O4
Molecular Weight418.41 g/mol
Exact Mass418.10
IUPAC Name3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol
SMILESOc1cc2c(cc1-c1nc3ccccc3o1)oc1c(-c3nc4ccccc4o3)cccc12
InChIInChI=1S/C26H14N2O4/c29-20-12-16-14-6-5-7-15(25-27-18-8-1-3-10-21(18)31-25)24(14)30-23(16)13-17(20)26-28-19-9-2-4-11-22(19)32-26/h1-13,29H
InChIKeyBATJMCJDFBOENQ-UHFFFAOYSA-N
XLogP6.91
TPSA85.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.41
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

bis(2-(1,3-benzoxazol-2-yl)phenol);ytterbium
CID 157356181
bis(3-(1,3-benzoxazol-2-yl)naphthalen-2-ol);zinc
CID 153426801
2-(4-dibenzofuran-4-ylphenyl)-1,3-benzoxazole
CID 67888451
bis(2-(1,3-benzoxazol-2-yl)phenol);oxovanadium
CID 162253412
2-[9-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-4-yl]-1,3-benzoxazole
CID 147547147
2,6-bis(1,3-benzoxazol-2-yl)-4-[3-(1,3-benzoxazol-2-yl)-4-hydroxyphenyl]phenol
CID 139797678
2-(1-chlorodibenzofuran-4-yl)-1,3-benzoxazole
CID 172728490
4-(1,3-benzoxazol-2-yl)-2,5-dihydroxybenzoyl chloride
CID 136740250
2-[4-[6-(4-pyridin-4-ylphenyl)dibenzofuran-4-yl]phenyl]-1,3-benzoxazole
CID 171760846
5-(1,3-benzoxazol-2-yl)-N,N-diphenylnaphtho[1,2-b][1]benzofuran-9-amine
CID 171755349
9-(1,3-benzoxazol-2-yl)-N-dibenzofuran-2-yl-N-dibenzofuran-3-yldibenzofuran-2-amine
CID 177082383
6-(1,3-benzoxazol-2-yl)benzo[de]isoquinoline-1,3-dione
CID 155420196

Frequently Asked Questions

What is the IUPAC name of 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol?
The IUPAC name of 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol (CID 135841605) is 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol.
What is the SMILES notation for 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol?
The canonical SMILES for 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol is Oc1cc2c(cc1-c1nc3ccccc3o1)oc1c(-c3nc4ccccc4o3)cccc12.
What is the InChIKey of 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol?
The InChIKey is BATJMCJDFBOENQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14N2O4/c29-20-12-16-14-6-5-7-15(25-27-18-8-1-3-10-21(18)31-25)24(14)30-23(16)13-17(20)26-28-19-9-2-4-11-22(19)32-26/h1-13,29H.
What are the key properties of 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol?
3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol has a molecular weight of 418.41 g/mol, XLogP of 6.91, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(1,3-benzoxazol-2-yl)dibenzofuran-2-ol is sourced from PubChem (CID 135841605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).