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

C24H15ClO — CID 171722122

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3oc4c(-c5ccc(Cl)cc5)cccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C24H15ClO/c25-19-12-9-17(10-13-19)20-7-4-8-21-22-15-18(16-5-2-1-3-6-16)11-14-23(22)26-24(20)21/h1-15H/i1D,2D,3D,5D,6D
InChIKeyCBMCMHWMVYOJPU-XFEWCBMOSA-N
MW359.87 g/mol
LogP7.57
Rot. Bonds2

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

6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (PubChem CID 171722122) has the molecular formula C24H15ClO and a molecular weight of 359.87 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.

Molecular Properties

Compound Name6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
PubChem CID171722122
Molecular FormulaC24H15ClO
Molecular Weight359.87 g/mol
Exact Mass359.11
IUPAC Name6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2ccc3oc4c(-c5ccc(Cl)cc5)cccc4c3c2)c([2H])c1[2H]
InChIInChI=1S/C24H15ClO/c25-19-12-9-17(10-13-19)20-7-4-8-21-22-15-18(16-5-2-1-3-6-16)11-14-23(22)26-24(20)21/h1-15H/i1D,2D,3D,5D,6D
InChIKeyCBMCMHWMVYOJPU-XFEWCBMOSA-N
XLogP7.57
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.87
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The IUPAC name of 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (CID 171722122) is 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.
What is the SMILES notation for 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The canonical SMILES for 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2ccc3oc4c(-c5ccc(Cl)cc5)cccc4c3c2)c([2H])c1[2H].
What is the InChIKey of 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The InChIKey is CBMCMHWMVYOJPU-XFEWCBMOSA-N. The full InChI is InChI=1S/C24H15ClO/c25-19-12-9-17(10-13-19)20-7-4-8-21-22-15-18(16-5-2-1-3-6-16)11-14-23(22)26-24(20)21/h1-15H/i1D,2D,3D,5D,6D.
What are the key properties of 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran has a molecular weight of 359.87 g/mol, XLogP of 7.57, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-2-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is sourced from PubChem (CID 171722122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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