6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione

C20H12BrNO2 — CID 2177103

IUPAC6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H12BrNO2/c21-13-9-11-14(12-10-13)22-19(23)17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(22)24/h1-12H
InChIKeyLQDODMQBDOSJKQ-UHFFFAOYSA-N
MW378.23 g/mol
LogP4.27
Rot. Bonds1

About 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione

6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione (PubChem CID 2177103) has the molecular formula C20H12BrNO2 and a molecular weight of 378.23 g/mol. Its IUPAC name is 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione.

Molecular Properties

Compound Name6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
PubChem CID2177103
Molecular FormulaC20H12BrNO2
Molecular Weight378.23 g/mol
Exact Mass377.01
IUPAC Name6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione
SMILESO=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Br)cc1
InChIInChI=1S/C20H12BrNO2/c21-13-9-11-14(12-10-13)22-19(23)17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(22)24/h1-12H
InChIKeyLQDODMQBDOSJKQ-UHFFFAOYSA-N
XLogP4.27
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.23
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione?
The IUPAC name of 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione (CID 2177103) is 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione.
What is the SMILES notation for 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione?
The canonical SMILES for 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione is O=c1c2ccccc2c2ccccc2c(=O)n1-c1ccc(Br)cc1.
What is the InChIKey of 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione?
The InChIKey is LQDODMQBDOSJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12BrNO2/c21-13-9-11-14(12-10-13)22-19(23)17-7-3-1-5-15(17)16-6-2-4-8-18(16)20(22)24/h1-12H.
What are the key properties of 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione?
6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione has a molecular weight of 378.23 g/mol, XLogP of 4.27, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)benzo[d][2]benzazepine-5,7-dione is sourced from PubChem (CID 2177103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).