9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine

C21H17NO2 — CID 68578039

IUPAC9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESc1cc2c(c(-c3cccc4c3oc3ccccc34)c1)OCCNC2
InChIInChI=1S/C21H17NO2/c1-2-10-19-15(6-1)16-8-4-9-18(21(16)24-19)17-7-3-5-14-13-22-11-12-23-20(14)17/h1-10,22H,11-13H2
InChIKeyYIUAREPZSKLJNA-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.74
Rot. Bonds1

About 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine

9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine (PubChem CID 68578039) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine.

Molecular Properties

Compound Name9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine
PubChem CID68578039
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine
SMILESc1cc2c(c(-c3cccc4c3oc3ccccc34)c1)OCCNC2
InChIInChI=1S/C21H17NO2/c1-2-10-19-15(6-1)16-8-4-9-18(21(16)24-19)17-7-3-5-14-13-22-11-12-23-20(14)17/h1-10,22H,11-13H2
InChIKeyYIUAREPZSKLJNA-UHFFFAOYSA-N
XLogP4.74
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine;2,2,2-trifluoroacetic acid
CID 68578038
9-(2-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine;hydrochloride
CID 68577904
9-(3-fluorophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 68580169
9-(4-nitrophenyl)-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 68579767
4-bromo-6-dibenzofuran-4-yldibenzofuran
CID 147905511
7-fluoro-2,3,4,5-tetrahydrobenzo[i][1,4]benzoxazepine
CID 155363799
9-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 68578352
4-(3-undecacyclo[30.16.0.02,7.08,25.010,23.011,16.017,22.026,31.034,47.035,40.041,46]octatetraconta-1(32),2,4,6,8(25),9,11,13,15,17,19,21,23,26,28,30,33,35,37,39,41,43,45,47-tetracosaenyl)dibenzofuran
CID 134429033
4-(9-oxoxanthen-4-yl)xanthen-9-one
CID 58280681
4-(4-bromophenyl)dibenzofuran
CID 59022098
7H-fluoreno[4,3-b][1]benzofuran
CID 122434421
3-dibenzofuran-4-yl-6-(5,6,7,8-tetrahydronaphthalen-1-yl)-9H-carbazole
CID 66800160

Frequently Asked Questions

What is the IUPAC name of 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The IUPAC name of 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine (CID 68578039) is 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine.
What is the SMILES notation for 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The canonical SMILES for 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine is c1cc2c(c(-c3cccc4c3oc3ccccc34)c1)OCCNC2.
What is the InChIKey of 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
The InChIKey is YIUAREPZSKLJNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-2-10-19-15(6-1)16-8-4-9-18(21(16)24-19)17-7-3-5-14-13-22-11-12-23-20(14)17/h1-10,22H,11-13H2.
What are the key properties of 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine?
9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine has a molecular weight of 315.37 g/mol, XLogP of 4.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-dibenzofuran-4-yl-2,3,4,5-tetrahydro-1,4-benzoxazepine is sourced from PubChem (CID 68578039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).