5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine

C23H17BrN2 — CID 626800

IUPAC5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine
SMILESBrc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H17BrN2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-26-23(16-20)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyKUSMKNZNWDPTJD-UHFFFAOYSA-N
MW401.31 g/mol
LogP6.13
Rot. Bonds3

About 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine

5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine (PubChem CID 626800) has the molecular formula C23H17BrN2 and a molecular weight of 401.31 g/mol. Its IUPAC name is 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine.

Molecular Properties

Compound Name5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine
PubChem CID626800
Molecular FormulaC23H17BrN2
Molecular Weight401.31 g/mol
Exact Mass400.06
IUPAC Name5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine
SMILESBrc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H17BrN2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-26-23(16-20)19-9-5-2-6-10-19/h1-15H,16H2
InChIKeyKUSMKNZNWDPTJD-UHFFFAOYSA-N
XLogP6.13
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.31
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(Z)-[(E)-1-(4-bromophenyl)-3-phenylprop-2-enylidene]amino]guanidine
CID 50915177
2-[(Z)-[(E)-3-(4-bromophenyl)-1-phenylprop-2-enylidene]amino]guanidine
CID 52950037
3,5,7-Triphenyl-4H-1,2-diazepine
CID 613116
Methanone, (4-bromophenyl)phenyl-, hydrazone
CID 5875652
3-(4-Bromophenyl)-2-phenyl-6,7-dihydro-5h-1,4-diazepine
CID 44563826
(NE)-N-[(E)-3-(4-bromophenyl)-1-(4-methylphenyl)prop-2-enylidene]hydroxylamine
CID 70691665
Ethanone, hydrazone
CID 5380952
(E)-1-(3-bromophenyl)-N-[(E)-1-(3-bromophenyl)ethylideneamino]ethanimine
CID 9615498
(1E,2E)-bis[1-(4-bromophenyl)ethylidene]hydrazine
CID 5512925
(1-(4-Bromophenyl)ethylidene)hydrazine
CID 267965
Methanone, (4-bromophenyl)phenyl-, oxime
CID 3484095
5,6-Bis(4-bromophenyl)-2,3-dihydropyrazine
CID 13171290

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine?
The IUPAC name of 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine (CID 626800) is 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine.
What is the SMILES notation for 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine?
The canonical SMILES for 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine is Brc1ccc(C2=CC(c3ccccc3)=NN=C(c3ccccc3)C2)cc1.
What is the InChIKey of 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine?
The InChIKey is KUSMKNZNWDPTJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17BrN2/c24-21-13-11-17(12-14-21)20-15-22(18-7-3-1-4-8-18)25-26-23(16-20)19-9-5-2-6-10-19/h1-15H,16H2.
What are the key properties of 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine?
5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine has a molecular weight of 401.31 g/mol, XLogP of 6.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-3,7-diphenyl-4H-diazepine is sourced from PubChem (CID 626800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).