3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran

C24H16O — CID 164960653

IUPAC3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(oc4ccccc43)c2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C24H16O/c1-3-9-17(10-4-1)19-15-16-21-20-13-7-8-14-22(20)25-24(21)23(19)18-11-5-2-6-12-18/h1-16H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D
InChIKeyWUEZAFKHWNCRFL-CRDOFXDFSA-N
MW330.45 g/mol
LogP6.92
Rot. Bonds2

About 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran

3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (PubChem CID 164960653) has the molecular formula C24H16O and a molecular weight of 330.45 g/mol. Its IUPAC name is 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.

Molecular Properties

Compound Name3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
PubChem CID164960653
Molecular FormulaC24H16O
Molecular Weight330.45 g/mol
Exact Mass330.18
IUPAC Name3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3c(oc4ccccc43)c2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H]
InChIInChI=1S/C24H16O/c1-3-9-17(10-4-1)19-15-16-21-20-13-7-8-14-22(20)25-24(21)23(19)18-11-5-2-6-12-18/h1-16H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D
InChIKeyWUEZAFKHWNCRFL-CRDOFXDFSA-N
XLogP6.92
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.45
LogP ≤ 56.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-4-phenyldibenzofuran
CID 170662489
3-methoxy-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 165032296
4-[2-deuterio-3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]dibenzofuran
CID 166587503
10-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-[1]benzofuro[6,5-b][1]benzofuran
CID 176745693
4-[3-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]phenyl]dibenzofuran
CID 171420995
2-dibenzofuran-4-yl-1-[5-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]naphthalen-1-yl]dibenzofuran
CID 140831499
6-(2,3,4,5,6-pentadeuteriophenyl)-3-[10-[2,3,5,6-tetradeuterio-4-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170662888
1-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-2-phenyl-[1]benzofuro[4,5-b][1]benzofuran
CID 176745899
2-[1,2,3,4,5,6,7,8-octadeuterio-10-[2-(2,3,4,5,6-pentadeuteriophenyl)naphthalen-1-yl]anthracen-9-yl]-4-phenyldibenzofuran
CID 170690470
1-[1,2,3,4,5,6,7,8-octadeuterio-10-[4-(4-deuteriophenyl)phenyl]anthracen-9-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 171420638
1-[1,2,3,4,5,6,7,8-octadeuterio-10-[2,3,4,5-tetradeuterio-6-(4-deuteriophenyl)phenyl]anthracen-9-yl]-4-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 171420742
1,3,4-trideuterio-2-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 176786237

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The IUPAC name of 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (CID 164960653) is 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.
What is the SMILES notation for 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The canonical SMILES for 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2ccc3c(oc4ccccc43)c2-c2c([2H])c([2H])c([2H])c([2H])c2[2H])c([2H])c1[2H].
What is the InChIKey of 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The InChIKey is WUEZAFKHWNCRFL-CRDOFXDFSA-N. The full InChI is InChI=1S/C24H16O/c1-3-9-17(10-4-1)19-15-16-21-20-13-7-8-14-22(20)25-24(21)23(19)18-11-5-2-6-12-18/h1-16H/i1D,2D,3D,4D,5D,6D,9D,10D,11D,12D.
What are the key properties of 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran has a molecular weight of 330.45 g/mol, XLogP of 6.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is sourced from PubChem (CID 164960653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).