3-[2-(4-methylphenyl)phenyl]-1H-diazirine

C14H12N2 — CID 154700637

IUPAC3-[2-(4-methylphenyl)phenyl]-1H-diazirine
SMILESCc1ccc(-c2ccccc2C2=NN2)cc1
InChIInChI=1S/C14H12N2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyJASRQDNRFCHRQV-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.93
Rot. Bonds2

About 3-[2-(4-methylphenyl)phenyl]-1H-diazirine

3-[2-(4-methylphenyl)phenyl]-1H-diazirine (PubChem CID 154700637) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)phenyl]-1H-diazirine.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)phenyl]-1H-diazirine
PubChem CID154700637
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-[2-(4-methylphenyl)phenyl]-1H-diazirine
SMILESCc1ccc(-c2ccccc2C2=NN2)cc1
InChIInChI=1S/C14H12N2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-16-14/h2-9H,1H3,(H,15,16)
InChIKeyJASRQDNRFCHRQV-UHFFFAOYSA-N
XLogP2.93
TPSA34.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-fluoro-2-[2-(4-methylphenyl)phenyl]benzene
CID 139250939
CID 158478788
CID 158478788
1-methyl-4-[2-(3-phenylphenyl)phenyl]benzene
CID 58390014
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
1-methyl-4-(2-phenylphenyl)benzene;phosphoric acid
CID 67896941
2-methyl-1-[2-methyl-3-(4-methylphenyl)phenyl]-3-(4-methylphenyl)benzene
CID 157107498
2-chloro-3-(4-methylphenyl)pyridine
CID 82076857
2-[4-(4-methylphenyl)phenyl]aniline
CID 154563208
1-bromo-2-(4-methylphenyl)benzene;ethane
CID 144848259
trimethyl-[4-[2-(4-methylphenyl)phenyl]furan-3-yl]silane
CID 14977585
6-(4-methylphenyl)-2,4-dihydro-1H-1,2,4,5-tetrazine-3-thione
CID 53215377
4-[2-(4-methylphenyl)phenyl]benzenesulfonamide
CID 23451018

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)phenyl]-1H-diazirine?
The IUPAC name of 3-[2-(4-methylphenyl)phenyl]-1H-diazirine (CID 154700637) is 3-[2-(4-methylphenyl)phenyl]-1H-diazirine.
What is the SMILES notation for 3-[2-(4-methylphenyl)phenyl]-1H-diazirine?
The canonical SMILES for 3-[2-(4-methylphenyl)phenyl]-1H-diazirine is Cc1ccc(-c2ccccc2C2=NN2)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)phenyl]-1H-diazirine?
The InChIKey is JASRQDNRFCHRQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-10-6-8-11(9-7-10)12-4-2-3-5-13(12)14-15-16-14/h2-9H,1H3,(H,15,16).
What are the key properties of 3-[2-(4-methylphenyl)phenyl]-1H-diazirine?
3-[2-(4-methylphenyl)phenyl]-1H-diazirine has a molecular weight of 208.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)phenyl]-1H-diazirine is sourced from PubChem (CID 154700637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).