2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran

C19H14O — CID 159538569

IUPAC2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(Cc2ccc3oc4ccccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C19H14O/c1-2-6-14(7-3-1)12-15-10-11-19-17(13-15)16-8-4-5-9-18(16)20-19/h1-11,13H,12H2/i1D,2D,3D,6D,7D
InChIKeyPPEMUKPVSUNUMG-FSTBWYLISA-N
MW263.35 g/mol
LogP5.18
Rot. Bonds2

About 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran

2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran (PubChem CID 159538569) has the molecular formula C19H14O and a molecular weight of 263.35 g/mol. Its IUPAC name is 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran.

Molecular Properties

Compound Name2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
PubChem CID159538569
Molecular FormulaC19H14O
Molecular Weight263.35 g/mol
Exact Mass263.14
IUPAC Name2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(Cc2ccc3oc4ccccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C19H14O/c1-2-6-14(7-3-1)12-15-10-11-19-17(13-15)16-8-4-5-9-18(16)20-19/h1-11,13H,12H2/i1D,2D,3D,6D,7D
InChIKeyPPEMUKPVSUNUMG-FSTBWYLISA-N
XLogP5.18
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.35
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-dibenzofuran-2-ylethanol
CID 567048
2-[3-[6,10-bis(3-dibenzofuran-2-ylpropyl)triphenylen-2-yl]propyl]dibenzofuran
CID 59412017
2-benzylxanthene-9-thione
CID 88726523
2-(2-methylpropyl)dibenzofuran
CID 59877560
2-[(2,3-dichlorophenyl)methyl]dibenzofuran
CID 167572111
1-dibenzofuran-2-ylpropan-2-amine
CID 42647881
3-dibenzofuran-2-ylpropan-1-amine chloride
CID 5351909
2-[2,10-bis(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]dibenzofuran
CID 170653989
2-deuteriodibenzofuran
CID 90735776
10,20-dioxapentacyclo[11.7.0.03,11.04,9.014,19]icosa-1(13),2,4,6,8,11,14,16,18-nonaene;ethane
CID 154692122
5-dibenzofuran-2-ylpentan-1-amine
CID 65300721
3-benzyldibenzofuran;hydrazine;methanimine
CID 142504911

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran?
The IUPAC name of 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran (CID 159538569) is 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran.
What is the SMILES notation for 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran?
The canonical SMILES for 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran is [2H]c1c([2H])c([2H])c(Cc2ccc3oc4ccccc4c3c2)c([2H])c1[2H].
What is the InChIKey of 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran?
The InChIKey is PPEMUKPVSUNUMG-FSTBWYLISA-N. The full InChI is InChI=1S/C19H14O/c1-2-6-14(7-3-1)12-15-10-11-19-17(13-15)16-8-4-5-9-18(16)20-19/h1-11,13H,12H2/i1D,2D,3D,6D,7D.
What are the key properties of 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran?
2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran has a molecular weight of 263.35 g/mol, XLogP of 5.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3,4,5,6-pentadeuteriophenyl)methyl]dibenzofuran is sourced from PubChem (CID 159538569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).