6,7-diphenylfuro[2,3-f][1,3]benzodioxole

C21H14O3 — CID 102296676

IUPAC6,7-diphenylfuro[2,3-f][1,3]benzodioxole
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)OCO4)cc1
InChIInChI=1S/C21H14O3/c1-3-7-14(8-4-1)20-16-11-18-19(23-13-22-18)12-17(16)24-21(20)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeySYHYYUCOHQXAPG-UHFFFAOYSA-N
MW314.34 g/mol
LogP5.50
Rot. Bonds2

About 6,7-diphenylfuro[2,3-f][1,3]benzodioxole

6,7-diphenylfuro[2,3-f][1,3]benzodioxole (PubChem CID 102296676) has the molecular formula C21H14O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is 6,7-diphenylfuro[2,3-f][1,3]benzodioxole.

Molecular Properties

Compound Name6,7-diphenylfuro[2,3-f][1,3]benzodioxole
PubChem CID102296676
Molecular FormulaC21H14O3
Molecular Weight314.34 g/mol
Exact Mass314.09
IUPAC Name6,7-diphenylfuro[2,3-f][1,3]benzodioxole
SMILESc1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)OCO4)cc1
InChIInChI=1S/C21H14O3/c1-3-7-14(8-4-1)20-16-11-18-19(23-13-22-18)12-17(16)24-21(20)15-9-5-2-6-10-15/h1-12H,13H2
InChIKeySYHYYUCOHQXAPG-UHFFFAOYSA-N
XLogP5.50
TPSA31.60 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.34
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-[(R)-methylsulfinyl]-6-phenylfuro[2,3-f][1,3]benzodioxole
CID 139071244
N-[4-(2,3-diphenyl-1-benzofuran-6-yl)phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 118459345
6-(4-tert-butylphenyl)-7-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)furo[2,3-f][1,3]benzodioxole
CID 89484023
6-(10-naphthalen-2-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744195
CID 123347966
CID 123347966
6-(10-phenanthren-9-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743914
1-(10-dibenzofuran-2-ylanthracen-9-yl)-2-phenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176744536
1,3-benzodioxole;1,1'-biphenyl
CID 161120601
8-[10-(1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran-6-yl)anthracen-9-yl]naphtho[1,2-b][1]benzofuran
CID 174264411
4-[2-(4-methoxyphenyl)-3,5-diphenylfuro[3,2-f][1]benzofuran-6-yl]benzonitrile
CID 10391863
6-(10-dibenzofuran-4-ylanthracen-9-yl)-1,2-diphenyl-[1]benzofuro[5,6-b][1]benzofuran
CID 176743305
3-[6-(1-benzofuran-2-yl)furo[2,3-f][1,3]benzodioxol-7-yl]-2-methyl-1H-indole
CID 132918019

Frequently Asked Questions

What is the IUPAC name of 6,7-diphenylfuro[2,3-f][1,3]benzodioxole?
The IUPAC name of 6,7-diphenylfuro[2,3-f][1,3]benzodioxole (CID 102296676) is 6,7-diphenylfuro[2,3-f][1,3]benzodioxole.
What is the SMILES notation for 6,7-diphenylfuro[2,3-f][1,3]benzodioxole?
The canonical SMILES for 6,7-diphenylfuro[2,3-f][1,3]benzodioxole is c1ccc(-c2oc3cc4c(cc3c2-c2ccccc2)OCO4)cc1.
What is the InChIKey of 6,7-diphenylfuro[2,3-f][1,3]benzodioxole?
The InChIKey is SYHYYUCOHQXAPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O3/c1-3-7-14(8-4-1)20-16-11-18-19(23-13-22-18)12-17(16)24-21(20)15-9-5-2-6-10-15/h1-12H,13H2.
What are the key properties of 6,7-diphenylfuro[2,3-f][1,3]benzodioxole?
6,7-diphenylfuro[2,3-f][1,3]benzodioxole has a molecular weight of 314.34 g/mol, XLogP of 5.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-diphenylfuro[2,3-f][1,3]benzodioxole is sourced from PubChem (CID 102296676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).