2-methyl-2,3-diphenylazirine

C15H13N — CID 13307627

IUPAC2-methyl-2,3-diphenylazirine
SMILESCC1(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C15H13N/c1-15(13-10-6-3-7-11-13)14(16-15)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyZSFTUOVYKJFGBZ-UHFFFAOYSA-N
MW207.28 g/mol
LogP3.40
Rot. Bonds2

About 2-methyl-2,3-diphenylazirine

2-methyl-2,3-diphenylazirine (PubChem CID 13307627) has the molecular formula C15H13N and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-methyl-2,3-diphenylazirine.

Molecular Properties

Compound Name2-methyl-2,3-diphenylazirine
PubChem CID13307627
Molecular FormulaC15H13N
Molecular Weight207.28 g/mol
Exact Mass207.10
IUPAC Name2-methyl-2,3-diphenylazirine
SMILESCC1(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C15H13N/c1-15(13-10-6-3-7-11-13)14(16-15)12-8-4-2-5-9-12/h2-11H,1H3
InChIKeyZSFTUOVYKJFGBZ-UHFFFAOYSA-N
XLogP3.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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5,5-dimethyl-3,6-diphenyl-2H-1,2,4-triazine
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2,4-dimethyl-5-phenyl-4-sulfanylpyrazol-3-one
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CID 118538432
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2,3-diphenylazirine?
The IUPAC name of 2-methyl-2,3-diphenylazirine (CID 13307627) is 2-methyl-2,3-diphenylazirine.
What is the SMILES notation for 2-methyl-2,3-diphenylazirine?
The canonical SMILES for 2-methyl-2,3-diphenylazirine is CC1(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 2-methyl-2,3-diphenylazirine?
The InChIKey is ZSFTUOVYKJFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N/c1-15(13-10-6-3-7-11-13)14(16-15)12-8-4-2-5-9-12/h2-11H,1H3.
What are the key properties of 2-methyl-2,3-diphenylazirine?
2-methyl-2,3-diphenylazirine has a molecular weight of 207.28 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2,3-diphenylazirine is sourced from PubChem (CID 13307627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).