5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine

C26H21NO — CID 163521321

IUPAC5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine
SMILESc1ccc(Oc2ccc(N3CCc4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C26H21NO/c1-2-9-22(10-3-1)28-23-16-14-21(15-17-23)27-19-18-20-8-4-5-11-24(20)25-12-6-7-13-26(25)27/h1-17H,18-19H2
InChIKeyDLBGKWOWLQAALT-UHFFFAOYSA-N
MW363.46 g/mol
LogP6.84
Rot. Bonds3

About 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine

5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine (PubChem CID 163521321) has the molecular formula C26H21NO and a molecular weight of 363.46 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine
PubChem CID163521321
Molecular FormulaC26H21NO
Molecular Weight363.46 g/mol
Exact Mass363.16
IUPAC Name5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine
SMILESc1ccc(Oc2ccc(N3CCc4ccccc4-c4ccccc43)cc2)cc1
InChIInChI=1S/C26H21NO/c1-2-9-22(10-3-1)28-23-16-14-21(15-17-23)27-19-18-20-8-4-5-11-24(20)25-12-6-7-13-26(25)27/h1-17H,18-19H2
InChIKeyDLBGKWOWLQAALT-UHFFFAOYSA-N
XLogP6.84
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.46
LogP ≤ 56.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine?
The IUPAC name of 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine (CID 163521321) is 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine.
What is the SMILES notation for 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine?
The canonical SMILES for 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine is c1ccc(Oc2ccc(N3CCc4ccccc4-c4ccccc43)cc2)cc1.
What is the InChIKey of 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine?
The InChIKey is DLBGKWOWLQAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21NO/c1-2-9-22(10-3-1)28-23-16-14-21(15-17-23)27-19-18-20-8-4-5-11-24(20)25-12-6-7-13-26(25)27/h1-17H,18-19H2.
What are the key properties of 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine?
5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine has a molecular weight of 363.46 g/mol, XLogP of 6.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-6,7-dihydrobenzo[d][1]benzazepine is sourced from PubChem (CID 163521321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).