6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine

C22H15NO — CID 122386157

IUPAC6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine
SMILESc1ccc(C2=Nc3c(oc4ccccc34)-c3ccccc3C2)cc1
InChIInChI=1S/C22H15NO/c1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)22-21(23-19)18-12-6-7-13-20(18)24-22/h1-13H,14H2
InChIKeyUQDFJUVYUHBUTD-UHFFFAOYSA-N
MW309.37 g/mol
LogP5.78
Rot. Bonds1

About 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine

6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine (PubChem CID 122386157) has the molecular formula C22H15NO and a molecular weight of 309.37 g/mol. Its IUPAC name is 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine.

Molecular Properties

Compound Name6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine
PubChem CID122386157
Molecular FormulaC22H15NO
Molecular Weight309.37 g/mol
Exact Mass309.12
IUPAC Name6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine
SMILESc1ccc(C2=Nc3c(oc4ccccc34)-c3ccccc3C2)cc1
InChIInChI=1S/C22H15NO/c1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)22-21(23-19)18-12-6-7-13-20(18)24-22/h1-13H,14H2
InChIKeyUQDFJUVYUHBUTD-UHFFFAOYSA-N
XLogP5.78
TPSA25.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.37
LogP ≤ 55.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine?
The IUPAC name of 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine (CID 122386157) is 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine.
What is the SMILES notation for 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine?
The canonical SMILES for 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine is c1ccc(C2=Nc3c(oc4ccccc34)-c3ccccc3C2)cc1.
What is the InChIKey of 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine?
The InChIKey is UQDFJUVYUHBUTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15NO/c1-2-8-15(9-3-1)19-14-16-10-4-5-11-17(16)22-21(23-19)18-12-6-7-13-20(18)24-22/h1-13H,14H2.
What are the key properties of 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine?
6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine has a molecular weight of 309.37 g/mol, XLogP of 5.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-5H-[1]benzofuro[3,2-d][3]benzazepine is sourced from PubChem (CID 122386157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).