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

C19H18N2 — CID 71375212

IUPAC2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
SMILESCC1=C(C)N=C(c2ccccc2)CC(c2ccccc2)=N1
InChIInChI=1S/C19H18N2/c1-14-15(2)21-19(17-11-7-4-8-12-17)13-18(20-14)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3
InChIKeyWFGUTYUNQNQRCH-UHFFFAOYSA-N
MW274.37 g/mol
LogP4.62
Rot. Bonds2

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

2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine (PubChem CID 71375212) has the molecular formula C19H18N2 and a molecular weight of 274.37 g/mol. Its IUPAC name is 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine.

Molecular Properties

Compound Name2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
PubChem CID71375212
Molecular FormulaC19H18N2
Molecular Weight274.37 g/mol
Exact Mass274.15
IUPAC Name2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
SMILESCC1=C(C)N=C(c2ccccc2)CC(c2ccccc2)=N1
InChIInChI=1S/C19H18N2/c1-14-15(2)21-19(17-11-7-4-8-12-17)13-18(20-14)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3
InChIKeyWFGUTYUNQNQRCH-UHFFFAOYSA-N
XLogP4.62
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine?
The IUPAC name of 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine (CID 71375212) is 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine.
What is the SMILES notation for 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine?
The canonical SMILES for 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine is CC1=C(C)N=C(c2ccccc2)CC(c2ccccc2)=N1.
What is the InChIKey of 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine?
The InChIKey is WFGUTYUNQNQRCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2/c1-14-15(2)21-19(17-11-7-4-8-12-17)13-18(20-14)16-9-5-3-6-10-16/h3-12H,13H2,1-2H3.
What are the key properties of 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine?
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine has a molecular weight of 274.37 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine is sourced from PubChem (CID 71375212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).