7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol

C18H12O2 — CID 156890421

IUPAC7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)oc2cccc(O)c23)c([2H])c1[2H]
InChIInChI=1S/C18H12O2/c19-15-7-4-8-16-18(15)14-10-9-13(11-17(14)20-16)12-5-2-1-3-6-12/h1-11,19H/i1D,2D,3D,5D,6D
InChIKeyQKRYILGQFPARIJ-XFEWCBMOSA-N
MW265.32 g/mol
LogP4.96
Rot. Bonds1

About 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol

7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol (PubChem CID 156890421) has the molecular formula C18H12O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol.

Molecular Properties

Compound Name7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol
PubChem CID156890421
Molecular FormulaC18H12O2
Molecular Weight265.32 g/mol
Exact Mass265.12
IUPAC Name7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(c2)oc2cccc(O)c23)c([2H])c1[2H]
InChIInChI=1S/C18H12O2/c19-15-7-4-8-16-18(15)14-10-9-13(11-17(14)20-16)12-5-2-1-3-6-12/h1-11,19H/i1D,2D,3D,5D,6D
InChIKeyQKRYILGQFPARIJ-XFEWCBMOSA-N
XLogP4.96
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-[2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170662347
7-(2,3,4,5,6-pentadeuteriophenyl)-1-pyren-1-yldibenzofuran
CID 170657960
7-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170662680
7-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170664333
2-[4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]-4-phenyl-6-[7-[4-(4-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 168770189
1-(6-naphthalen-1-ylpyren-1-yl)-7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 170657951
7-phenyl-1-[10-[2,3,4,5-tetradeuterio-6-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]phenyl]anthracen-9-yl]dibenzofuran
CID 170664139
7-(2,3,4,5,6-pentadeuteriophenyl)-1-[6-(2-phenylphenyl)pyren-1-yl]dibenzofuran
CID 170657974
2,4-bis(4-phenylphenyl)-6-[9-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-1,3,5-triazine
CID 164797899
7-(2,3,4,5,6-pentadeuteriophenyl)-1-(6-phenanthren-9-ylpyren-1-yl)dibenzofuran
CID 170658179
2-[9-[3,5-bis(2,3,4,5,6-pentadeuteriophenyl)phenyl]dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 164797878
2-[7-(3,5-diphenylphenyl)dibenzofuran-1-yl]-4,6-bis(2,3,4,5,6-pentadeuteriophenyl)-1,3,5-triazine
CID 171414704

Frequently Asked Questions

What is the IUPAC name of 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol?
The IUPAC name of 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol (CID 156890421) is 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol.
What is the SMILES notation for 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol?
The canonical SMILES for 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol is [2H]c1c([2H])c([2H])c(-c2ccc3c(c2)oc2cccc(O)c23)c([2H])c1[2H].
What is the InChIKey of 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol?
The InChIKey is QKRYILGQFPARIJ-XFEWCBMOSA-N. The full InChI is InChI=1S/C18H12O2/c19-15-7-4-8-16-18(15)14-10-9-13(11-17(14)20-16)12-5-2-1-3-6-12/h1-11,19H/i1D,2D,3D,5D,6D.
What are the key properties of 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol?
7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol has a molecular weight of 265.32 g/mol, XLogP of 4.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran-1-ol is sourced from PubChem (CID 156890421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).