8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one

C27H15NO3 — CID 163394929

IUPAC8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one
SMILESO=c1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2cc2oc3ccccc3n12
InChIInChI=1S/C27H15NO3/c29-27-19-11-9-16(13-18(19)15-26-28(27)22-6-2-4-8-25(22)31-26)17-10-12-24-21(14-17)20-5-1-3-7-23(20)30-24/h1-15H
InChIKeyUWUICJMJAQFWDD-UHFFFAOYSA-N
MW401.42 g/mol
LogP6.77
Rot. Bonds1

About 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one

8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one (PubChem CID 163394929) has the molecular formula C27H15NO3 and a molecular weight of 401.42 g/mol. Its IUPAC name is 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one.

Molecular Properties

Compound Name8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one
PubChem CID163394929
Molecular FormulaC27H15NO3
Molecular Weight401.42 g/mol
Exact Mass401.11
IUPAC Name8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one
SMILESO=c1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2cc2oc3ccccc3n12
InChIInChI=1S/C27H15NO3/c29-27-19-11-9-16(13-18(19)15-26-28(27)22-6-2-4-8-25(22)31-26)17-10-12-24-21(14-17)20-5-1-3-7-23(20)30-24/h1-15H
InChIKeyUWUICJMJAQFWDD-UHFFFAOYSA-N
XLogP6.77
TPSA47.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.42
LogP ≤ 56.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

indolo[2,1-b][1,3]benzoxazin-12-one
CID 56963988
11-dibenzofuran-2-yl-5,17-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
CID 118390329
11-dibenzofuran-2-yl-6,16-diphenyl-1-azapentacyclo[11.7.1.03,8.09,21.014,19]henicosa-3(8),4,6,9,11,13(21),14(19),15,17-nonaene-2,20-dione
CID 118390318
3-dibenzofuran-2-ylbenzimidazolo[2,1-b][1,3]benzothiazin-12-one
CID 162723051
11-dibenzofuran-2-yl-4-dibenzothiophen-2-yl-1-azapentacyclo[10.7.1.02,7.08,20.013,18]icosa-2(7),3,5,8(20),9,11,13,15,17-nonaen-19-one
CID 123263687
2-[3-dibenzofuran-2-yl-5-[7-[3,5-di(dibenzofuran-2-yl)phenyl]triphenylen-2-yl]phenyl]dibenzofuran
CID 118490746
3-dibenzofuran-2-yl-9-methylcarbazole
CID 121307339
9-[4-(4-dibenzofuran-2-ylphenyl)phenyl]carbazole
CID 163531288
9-(4-dibenzofuran-2-ylphenyl)carbazole
CID 130326818
2-[2,6,10-tri(dibenzofuran-2-yl)anthracen-9-yl]dibenzofuran
CID 143933892
2-[3-[3-(1-azapentacyclo[10.6.1.02,7.08,19.013,18]nonadeca-2(7),3,5,8,10,12(19),13,15,17-nonaen-4-yl)phenyl]phenyl]xanthen-9-one
CID 176758561
2-(7-methylphenanthren-2-yl)dibenzofuran
CID 118887116

Frequently Asked Questions

What is the IUPAC name of 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one?
The IUPAC name of 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one (CID 163394929) is 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one.
What is the SMILES notation for 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one?
The canonical SMILES for 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one is O=c1c2ccc(-c3ccc4oc5ccccc5c4c3)cc2cc2oc3ccccc3n12.
What is the InChIKey of 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one?
The InChIKey is UWUICJMJAQFWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H15NO3/c29-27-19-11-9-16(13-18(19)15-26-28(27)22-6-2-4-8-25(22)31-26)17-10-12-24-21(14-17)20-5-1-3-7-23(20)30-24/h1-15H.
What are the key properties of 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one?
8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one has a molecular weight of 401.42 g/mol, XLogP of 6.77, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-dibenzofuran-2-yl-[1,3]benzoxazolo[3,2-b]isoquinolin-11-one is sourced from PubChem (CID 163394929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).