6-phenylbenzo[b][1,4]benzoxazepine

C19H13NO — CID 623077

IUPAC6-phenylbenzo[b][1,4]benzoxazepine
SMILESc1ccc(C2=Nc3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H13NO/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)20-19/h1-13H
InChIKeyCGNUUPFVHAWXPI-UHFFFAOYSA-N
MW271.32 g/mol
LogP4.96
Rot. Bonds1

About 6-phenylbenzo[b][1,4]benzoxazepine

6-phenylbenzo[b][1,4]benzoxazepine (PubChem CID 623077) has the molecular formula C19H13NO and a molecular weight of 271.32 g/mol. Its IUPAC name is 6-phenylbenzo[b][1,4]benzoxazepine.

Molecular Properties

Compound Name6-phenylbenzo[b][1,4]benzoxazepine
PubChem CID623077
Molecular FormulaC19H13NO
Molecular Weight271.32 g/mol
Exact Mass271.10
IUPAC Name6-phenylbenzo[b][1,4]benzoxazepine
SMILESc1ccc(C2=Nc3ccccc3Oc3ccccc32)cc1
InChIInChI=1S/C19H13NO/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)20-19/h1-13H
InChIKeyCGNUUPFVHAWXPI-UHFFFAOYSA-N
XLogP4.96
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-phenylbenzo[b][1,4]benzoxazepine?
The IUPAC name of 6-phenylbenzo[b][1,4]benzoxazepine (CID 623077) is 6-phenylbenzo[b][1,4]benzoxazepine.
What is the SMILES notation for 6-phenylbenzo[b][1,4]benzoxazepine?
The canonical SMILES for 6-phenylbenzo[b][1,4]benzoxazepine is c1ccc(C2=Nc3ccccc3Oc3ccccc32)cc1.
What is the InChIKey of 6-phenylbenzo[b][1,4]benzoxazepine?
The InChIKey is CGNUUPFVHAWXPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13NO/c1-2-8-14(9-3-1)19-15-10-4-6-12-17(15)21-18-13-7-5-11-16(18)20-19/h1-13H.
What are the key properties of 6-phenylbenzo[b][1,4]benzoxazepine?
6-phenylbenzo[b][1,4]benzoxazepine has a molecular weight of 271.32 g/mol, XLogP of 4.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylbenzo[b][1,4]benzoxazepine is sourced from PubChem (CID 623077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).