3,5,7-triphenyl-4H-diazepine

C23H18N2 — CID 613116

IUPAC3,5,7-triphenyl-4H-diazepine
SMILESC1=C(c2ccccc2)CC(c2ccccc2)=NN=C1c1ccccc1
InChIInChI=1S/C23H18N2/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-25-23(17-21)20-14-8-3-9-15-20/h1-16H,17H2
InChIKeyNCJIYZKOKVSKDJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP5.37
Rot. Bonds3

About 3,5,7-triphenyl-4H-diazepine

3,5,7-triphenyl-4H-diazepine (PubChem CID 613116) has the molecular formula C23H18N2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3,5,7-triphenyl-4H-diazepine.

Molecular Properties

Compound Name3,5,7-triphenyl-4H-diazepine
PubChem CID613116
Molecular FormulaC23H18N2
Molecular Weight322.41 g/mol
Exact Mass322.15
IUPAC Name3,5,7-triphenyl-4H-diazepine
SMILESC1=C(c2ccccc2)CC(c2ccccc2)=NN=C1c1ccccc1
InChIInChI=1S/C23H18N2/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-25-23(17-21)20-14-8-3-9-15-20/h1-16H,17H2
InChIKeyNCJIYZKOKVSKDJ-UHFFFAOYSA-N
XLogP5.37
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,5,7-triphenyl-4H-diazepine?
The IUPAC name of 3,5,7-triphenyl-4H-diazepine (CID 613116) is 3,5,7-triphenyl-4H-diazepine.
What is the SMILES notation for 3,5,7-triphenyl-4H-diazepine?
The canonical SMILES for 3,5,7-triphenyl-4H-diazepine is C1=C(c2ccccc2)CC(c2ccccc2)=NN=C1c1ccccc1.
What is the InChIKey of 3,5,7-triphenyl-4H-diazepine?
The InChIKey is NCJIYZKOKVSKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2/c1-4-10-18(11-5-1)21-16-22(19-12-6-2-7-13-19)24-25-23(17-21)20-14-8-3-9-15-20/h1-16H,17H2.
What are the key properties of 3,5,7-triphenyl-4H-diazepine?
3,5,7-triphenyl-4H-diazepine has a molecular weight of 322.41 g/mol, XLogP of 5.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,7-triphenyl-4H-diazepine is sourced from PubChem (CID 613116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).