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

C24H15BrO — CID 140891903

IUPAC1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(Br)cc3)c3c(c2)oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C24H15BrO/c25-19-12-10-17(11-13-19)21-14-18(16-6-2-1-3-7-16)15-23-24(21)20-8-4-5-9-22(20)26-23/h1-15H/i1D,2D,3D,6D,7D
InChIKeyCGJXTZKTPWHYMT-FSTBWYLISA-N
MW404.32 g/mol
LogP7.68
Rot. Bonds2

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

1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (PubChem CID 140891903) has the molecular formula C24H15BrO and a molecular weight of 404.32 g/mol. Its IUPAC name is 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.

Molecular Properties

Compound Name1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
PubChem CID140891903
Molecular FormulaC24H15BrO
Molecular Weight404.32 g/mol
Exact Mass403.06
IUPAC Name1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran
SMILES[2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(Br)cc3)c3c(c2)oc2ccccc23)c([2H])c1[2H]
InChIInChI=1S/C24H15BrO/c25-19-12-10-17(11-13-19)21-14-18(16-6-2-1-3-7-16)15-23-24(21)20-8-4-5-9-22(20)26-23/h1-15H/i1D,2D,3D,6D,7D
InChIKeyCGJXTZKTPWHYMT-FSTBWYLISA-N
XLogP7.68
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.32
LogP ≤ 57.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-bromophenyl)-3-phenyldibenzofuran
CID 135295838
3-[10-[2-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170663785
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
5-(4-bromophenyl)naphtho[2,1-b][1]benzofuran
CID 118616071
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-[10-[3-(2,3,4,5,6-pentadeuteriophenyl)phenyl]anthracen-9-yl]-1-phenyldibenzofuran
CID 170662680
12-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]-9,20-dioxapentacyclo[11.7.0.02,10.03,8.014,19]icosa-1(13),2(10),3,5,7,11,14,16,18-nonaene
CID 129119405
7-(2,3,4,5,6-pentadeuteriophenyl)-1-[10-(2,3,4,5-tetradeuterio-6-phenylphenyl)anthracen-9-yl]dibenzofuran
CID 170664333
1-[4-(1,2,3,4,5,6,7,8-octadeuterio-10-phenylanthracen-9-yl)phenyl]dibenzofuran
CID 153474897
2-[4-[10-(2,3,4,5,6-pentadeuteriophenyl)anthracen-9-yl]phenyl]-1-phenyldibenzofuran
CID 140831320
1-[6-(2,3,4,5,6-pentadeuteriophenyl)pyren-1-yl]-3-(3-phenylphenyl)dibenzofuran
CID 170658079
1-[7-(2,3,4,5,6-pentadeuteriophenyl)-9,10-diphenylanthracen-2-yl]dibenzofuran
CID 168795926

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The IUPAC name of 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran (CID 140891903) is 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran.
What is the SMILES notation for 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The canonical SMILES for 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is [2H]c1c([2H])c([2H])c(-c2cc(-c3ccc(Br)cc3)c3c(c2)oc2ccccc23)c([2H])c1[2H].
What is the InChIKey of 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
The InChIKey is CGJXTZKTPWHYMT-FSTBWYLISA-N. The full InChI is InChI=1S/C24H15BrO/c25-19-12-10-17(11-13-19)21-14-18(16-6-2-1-3-7-16)15-23-24(21)20-8-4-5-9-22(20)26-23/h1-15H/i1D,2D,3D,6D,7D.
What are the key properties of 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran?
1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran has a molecular weight of 404.32 g/mol, XLogP of 7.68, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-3-(2,3,4,5,6-pentadeuteriophenyl)dibenzofuran is sourced from PubChem (CID 140891903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).