3-phenyl-3H-diazirine

C7H6N2 — CID 10855430

IUPAC3-phenyl-3H-diazirine
SMILESc1ccc(C2N=N2)cc1
InChIInChI=1S/C7H6N2/c1-2-4-6(5-3-1)7-8-9-7/h1-5,7H
InChIKeyDCXIMRSHMXAVHX-UHFFFAOYSA-N
MW118.14 g/mol
LogP2.15
Rot. Bonds1

About 3-phenyl-3H-diazirine

3-phenyl-3H-diazirine (PubChem CID 10855430) has the molecular formula C7H6N2 and a molecular weight of 118.14 g/mol. Its IUPAC name is 3-phenyl-3H-diazirine.

Molecular Properties

Compound Name3-phenyl-3H-diazirine
PubChem CID10855430
Molecular FormulaC7H6N2
Molecular Weight118.14 g/mol
Exact Mass118.05
IUPAC Name3-phenyl-3H-diazirine
SMILESc1ccc(C2N=N2)cc1
InChIInChI=1S/C7H6N2/c1-2-4-6(5-3-1)7-8-9-7/h1-5,7H
InChIKeyDCXIMRSHMXAVHX-UHFFFAOYSA-N
XLogP2.15
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.14
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-phenyl-1,4-dihydro-1,3,5-triazine
CID 10678525
(3R,5R)-3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616611
3,6-diphenyl-3,4,5,6-tetrahydropyridazine
CID 14591674
3,5-diphenyl-4,5-dihydro-3H-pyrazole
CID 12616610
4-methyl-2-phenyl-2H-imidazole
CID 173295239
diphenyliodanium;hydroiodide
CID 54604341
(4-phenylcyclohexa-2,5-dien-1-yl)benzene
CID 5248482
(3S,4S)-3,4-diphenyldioxetane
CID 71394517
2,3,5,6,8,9,11,12,14,15-decakis-phenyl-1,4,7,10,13-pentaoxacyclopentadecane
CID 20606657
diphenyliodanium;ethane;methane
CID 159636739
benzene;cyclopropylbenzene
CID 144638417
4-phenylpyrazole-3,5-dione
CID 57268798

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3H-diazirine?
The IUPAC name of 3-phenyl-3H-diazirine (CID 10855430) is 3-phenyl-3H-diazirine.
What is the SMILES notation for 3-phenyl-3H-diazirine?
The canonical SMILES for 3-phenyl-3H-diazirine is c1ccc(C2N=N2)cc1.
What is the InChIKey of 3-phenyl-3H-diazirine?
The InChIKey is DCXIMRSHMXAVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2/c1-2-4-6(5-3-1)7-8-9-7/h1-5,7H.
What are the key properties of 3-phenyl-3H-diazirine?
3-phenyl-3H-diazirine has a molecular weight of 118.14 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3H-diazirine is sourced from PubChem (CID 10855430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).