4-bromo-7-phenyl-5H-benzo[d][2]benzazepine

C20H14BrN — CID 86185797

IUPAC4-bromo-7-phenyl-5H-benzo[d][2]benzazepine
SMILESBrc1cccc2c1CN=C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C20H14BrN/c21-19-12-6-11-16-15-9-4-5-10-17(15)20(22-13-18(16)19)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyYEDMCBOGRUTNDU-UHFFFAOYSA-N
MW348.24 g/mol
LogP5.47
Rot. Bonds1

About 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine

4-bromo-7-phenyl-5H-benzo[d][2]benzazepine (PubChem CID 86185797) has the molecular formula C20H14BrN and a molecular weight of 348.24 g/mol. Its IUPAC name is 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine.

Molecular Properties

Compound Name4-bromo-7-phenyl-5H-benzo[d][2]benzazepine
PubChem CID86185797
Molecular FormulaC20H14BrN
Molecular Weight348.24 g/mol
Exact Mass347.03
IUPAC Name4-bromo-7-phenyl-5H-benzo[d][2]benzazepine
SMILESBrc1cccc2c1CN=C(c1ccccc1)c1ccccc1-2
InChIInChI=1S/C20H14BrN/c21-19-12-6-11-16-15-9-4-5-10-17(15)20(22-13-18(16)19)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyYEDMCBOGRUTNDU-UHFFFAOYSA-N
XLogP5.47
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.24
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 59315617
N-benzhydryl-1-(3-bromophenyl)methanimine
CID 67052884
1-[(2-Bromophenyl)methyl]-3,4-dihydroisoquinoline
CID 86025440
9-bromo-7-(o-fluorophenyl)-5H-dibenz[c,e]azepine
CID 13055167
5-(2-bromophenyl)-2-(4-fluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58915229
5-Bromo-1-(4-(trifluoromethyl)phenyl)-3,4-dihydroisoquinoline
CID 59536292
N-benzhydryl-1-(2-bromo-4-fluorophenyl)methanimine
CID 67363878
N-benzhydryl-1-(2-bromo-5-fluorophenyl)methanimine
CID 67365554
6-Bromo-1-(4-fluorophenyl)-3,4-dihydroisoquinoline
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CID 170646835

Frequently Asked Questions

What is the IUPAC name of 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine?
The IUPAC name of 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine (CID 86185797) is 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine.
What is the SMILES notation for 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine?
The canonical SMILES for 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine is Brc1cccc2c1CN=C(c1ccccc1)c1ccccc1-2.
What is the InChIKey of 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine?
The InChIKey is YEDMCBOGRUTNDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN/c21-19-12-6-11-16-15-9-4-5-10-17(15)20(22-13-18(16)19)14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine?
4-bromo-7-phenyl-5H-benzo[d][2]benzazepine has a molecular weight of 348.24 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-7-phenyl-5H-benzo[d][2]benzazepine is sourced from PubChem (CID 86185797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).