2,8-bis(2-phenylethynyl)dibenzofuran

C28H16O — CID 5038015

IUPAC2,8-bis(2-phenylethynyl)dibenzofuran
SMILESC(#Cc1ccc2oc3ccc(C#Cc4ccccc4)cc3c2c1)c1ccccc1
InChIInChI=1S/C28H16O/c1-3-7-21(8-4-1)11-13-23-15-17-27-25(19-23)26-20-24(16-18-28(26)29-27)14-12-22-9-5-2-6-10-22/h1-10,15-20H
InChIKeyPOBCYSZAOPKFIT-UHFFFAOYSA-N
MW368.44 g/mol
LogP6.39
Rot. Bonds

About 2,8-bis(2-phenylethynyl)dibenzofuran

2,8-bis(2-phenylethynyl)dibenzofuran (PubChem CID 5038015) has the molecular formula C28H16O and a molecular weight of 368.44 g/mol. Its IUPAC name is 2,8-bis(2-phenylethynyl)dibenzofuran.

Molecular Properties

Compound Name2,8-bis(2-phenylethynyl)dibenzofuran
PubChem CID5038015
Molecular FormulaC28H16O
Molecular Weight368.44 g/mol
Exact Mass368.12
IUPAC Name2,8-bis(2-phenylethynyl)dibenzofuran
SMILESC(#Cc1ccc2oc3ccc(C#Cc4ccccc4)cc3c2c1)c1ccccc1
InChIInChI=1S/C28H16O/c1-3-7-21(8-4-1)11-13-23-15-17-27-25(19-23)26-20-24(16-18-28(26)29-27)14-12-22-9-5-2-6-10-22/h1-10,15-20H
InChIKeyPOBCYSZAOPKFIT-UHFFFAOYSA-N
XLogP6.39
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.44
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

2-(4-chlorobut-1-ynyl)dibenzofuran
CID 60799869
2-((1,2-13C2)cyclohexatrienyl)ethynyl(1,2-13C2)cyclohexatriene
CID 150731469
2-phenylethynylbenzene;dihydrochloride
CID 174927104
2-phenylethynylbenzene;hydrofluoride
CID 158259923
1,2,7-tris(2-phenylethynyl)naphthalene
CID 86009287
6-methyl-4-(2-phenylethynyl)chromen-2-one
CID 102263327
bis(2,8-bis(ethynyl)dibenzofuran);bis(2-diphenylphosphaniumylethyl(diphenyl)phosphanium);tetrakis(gold(1+))
CID 164790478
1,4-bis[4-(2-phenylethynyl)phenyl]benzene
CID 3111099
1,3,5-tris[4-(2-phenylethynyl)phenyl]benzene
CID 15640933
3,7-bis[2-(4-methylphenyl)ethynyl]dibenzofuran
CID 59146804
2-(2-phenylethynyl)anthracene
CID 143875510
1-phenyl-3-[2-(4-phenylphenyl)ethynyl]benzene
CID 59475328

Frequently Asked Questions

What is the IUPAC name of 2,8-bis(2-phenylethynyl)dibenzofuran?
The IUPAC name of 2,8-bis(2-phenylethynyl)dibenzofuran (CID 5038015) is 2,8-bis(2-phenylethynyl)dibenzofuran.
What is the SMILES notation for 2,8-bis(2-phenylethynyl)dibenzofuran?
The canonical SMILES for 2,8-bis(2-phenylethynyl)dibenzofuran is C(#Cc1ccc2oc3ccc(C#Cc4ccccc4)cc3c2c1)c1ccccc1.
What is the InChIKey of 2,8-bis(2-phenylethynyl)dibenzofuran?
The InChIKey is POBCYSZAOPKFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H16O/c1-3-7-21(8-4-1)11-13-23-15-17-27-25(19-23)26-20-24(16-18-28(26)29-27)14-12-22-9-5-2-6-10-22/h1-10,15-20H.
What are the key properties of 2,8-bis(2-phenylethynyl)dibenzofuran?
2,8-bis(2-phenylethynyl)dibenzofuran has a molecular weight of 368.44 g/mol, XLogP of 6.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,8-bis(2-phenylethynyl)dibenzofuran is sourced from PubChem (CID 5038015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).