4,6-dideuterio-3-methyl-1-phenyldibenzofuran

C19H14O — CID 172513333

IUPAC4,6-dideuterio-3-methyl-1-phenyldibenzofuran
SMILES[2H]c1cccc2c1oc1c([2H])c(C)cc(-c3ccccc3)c12
InChIInChI=1S/C19H14O/c1-13-11-16(14-7-3-2-4-8-14)19-15-9-5-6-10-17(15)20-18(19)12-13/h2-12H,1H3/i10D,12D
InChIKeyJFMVTKAGVAOEKC-SQSURYJASA-N
MW260.33 g/mol
LogP5.56
Rot. Bonds1

About 4,6-dideuterio-3-methyl-1-phenyldibenzofuran

4,6-dideuterio-3-methyl-1-phenyldibenzofuran (PubChem CID 172513333) has the molecular formula C19H14O and a molecular weight of 260.33 g/mol. Its IUPAC name is 4,6-dideuterio-3-methyl-1-phenyldibenzofuran.

Molecular Properties

Compound Name4,6-dideuterio-3-methyl-1-phenyldibenzofuran
PubChem CID172513333
Molecular FormulaC19H14O
Molecular Weight260.33 g/mol
Exact Mass260.12
IUPAC Name4,6-dideuterio-3-methyl-1-phenyldibenzofuran
SMILES[2H]c1cccc2c1oc1c([2H])c(C)cc(-c3ccccc3)c12
InChIInChI=1S/C19H14O/c1-13-11-16(14-7-3-2-4-8-14)19-15-9-5-6-10-17(15)20-18(19)12-13/h2-12H,1H3/i10D,12D
InChIKeyJFMVTKAGVAOEKC-SQSURYJASA-N
XLogP5.56
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.33
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-phenyldibenzofuran
CID 129266933
4,6-dideuterio-2-methyl-3-phenyldibenzofuran
CID 172513284
5-(4-methyl-2-phenylphenyl)naphtho[2,1-b][1]benzofuran
CID 157348273
3-[10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170663785
1,3,4,6,7,8-hexadeuterio-9-phenyl-2-[10-[2,3,4,5-tetradeuterio-6-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]dibenzofuran
CID 170661791
1,3,4,6,7,8-hexadeuterio-2-[10-(1,3,4,5,6,7,8-heptadeuterionaphthalen-2-yl)anthracen-9-yl]-9-phenyldibenzofuran
CID 170662795
3-[1,2,3,4,5,6,7,8-octadeuterio-10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]-1-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
CID 171420725
2-(3,5-dimethylphenyl)-4-(1,2,4,6,7,8-hexadeuterio-9-phenyldibenzofuran-3-yl)-6-triphenylen-2-yl-1,3,5-triazine
CID 177107075
9-methyl-7-phenylbenzo[c]chromen-6-one
CID 16754507
2,3,4,6,7,8-hexadeuterio-1-phenyl-9-[10-(4-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170662791
N-[4-(3-methyldibenzofuran-1-yl)phenyl]-N-(4-phenanthren-9-ylphenyl)-4-phenylaniline
CID 176757216
2-phenanthren-3-yl-4-(2-phenylphenyl)-6-(2,6,8-trideuteriodibenzofuran-1-yl)-1,3,5-triazine
CID 170926834

Frequently Asked Questions

What is the IUPAC name of 4,6-dideuterio-3-methyl-1-phenyldibenzofuran?
The IUPAC name of 4,6-dideuterio-3-methyl-1-phenyldibenzofuran (CID 172513333) is 4,6-dideuterio-3-methyl-1-phenyldibenzofuran.
What is the SMILES notation for 4,6-dideuterio-3-methyl-1-phenyldibenzofuran?
The canonical SMILES for 4,6-dideuterio-3-methyl-1-phenyldibenzofuran is [2H]c1cccc2c1oc1c([2H])c(C)cc(-c3ccccc3)c12.
What is the InChIKey of 4,6-dideuterio-3-methyl-1-phenyldibenzofuran?
The InChIKey is JFMVTKAGVAOEKC-SQSURYJASA-N. The full InChI is InChI=1S/C19H14O/c1-13-11-16(14-7-3-2-4-8-14)19-15-9-5-6-10-17(15)20-18(19)12-13/h2-12H,1H3/i10D,12D.
What are the key properties of 4,6-dideuterio-3-methyl-1-phenyldibenzofuran?
4,6-dideuterio-3-methyl-1-phenyldibenzofuran has a molecular weight of 260.33 g/mol, XLogP of 5.56, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dideuterio-3-methyl-1-phenyldibenzofuran is sourced from PubChem (CID 172513333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).