2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine

C17H16N2 — CID 44563824

IUPAC2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine
SMILESc1ccc(C2=NCCCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H16N2/c1-3-8-14(9-4-1)16-17(19-13-7-12-18-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyDVCLKCMPVIKESN-UHFFFAOYSA-N
MW248.33 g/mol
LogP3.37
Rot. Bonds2

About 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine

2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine (PubChem CID 44563824) has the molecular formula C17H16N2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine.

Molecular Properties

Compound Name2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine
PubChem CID44563824
Molecular FormulaC17H16N2
Molecular Weight248.33 g/mol
Exact Mass248.13
IUPAC Name2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine
SMILESc1ccc(C2=NCCCN=C2c2ccccc2)cc1
InChIInChI=1S/C17H16N2/c1-3-8-14(9-4-1)16-17(19-13-7-12-18-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2
InChIKeyDVCLKCMPVIKESN-UHFFFAOYSA-N
XLogP3.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine?
The IUPAC name of 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine (CID 44563824) is 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine.
What is the SMILES notation for 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine?
The canonical SMILES for 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine is c1ccc(C2=NCCCN=C2c2ccccc2)cc1.
What is the InChIKey of 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine?
The InChIKey is DVCLKCMPVIKESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2/c1-3-8-14(9-4-1)16-17(19-13-7-12-18-16)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13H2.
What are the key properties of 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine?
2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine has a molecular weight of 248.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-6,7-dihydro-5H-1,4-diazepine is sourced from PubChem (CID 44563824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).