bis(acetonitrile);1,1'-biphenyl

C16H16N2 — CID 175366291

IUPACbis(acetonitrile);1,1'-biphenyl
SMILESCC#N.CC#N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-3/h1-10H;2*1H3
InChIKeyFXVFQHTWNOLPIY-UHFFFAOYSA-N
MW236.32 g/mol
LogP4.41
Rot. Bonds1

About bis(acetonitrile);1,1'-biphenyl

bis(acetonitrile);1,1'-biphenyl (PubChem CID 175366291) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is bis(acetonitrile);1,1'-biphenyl.

Molecular Properties

Compound Namebis(acetonitrile);1,1'-biphenyl
PubChem CID175366291
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Namebis(acetonitrile);1,1'-biphenyl
SMILESCC#N.CC#N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-3/h1-10H;2*1H3
InChIKeyFXVFQHTWNOLPIY-UHFFFAOYSA-N
XLogP4.41
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

benzene;1,1'-biphenyl;ethane
CID 158550617
acetonitrile;bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 22320800
acetonitrile;benzene;hydrate
CID 18177286
benzene;tris(1,1'-biphenyl)
CID 162155747
acetonitrile;biphenylene
CID 23213528
acetonitrile;ethane;toluene
CID 91141912
acetonitrile;fluorobenzene
CID 161293725
1,1'-biphenyl cyanide
CID 160660269
1,1'-biphenyl;ethane;hydrobromide
CID 90342014
1,4-bis[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzene;ethane;1-phenyl-4-[4-[4-[4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 162041275
benzene;1,1'-biphenyl;ethane;methane
CID 161215689
CID 162140615
CID 162140615

Frequently Asked Questions

What is the IUPAC name of bis(acetonitrile);1,1'-biphenyl?
The IUPAC name of bis(acetonitrile);1,1'-biphenyl (CID 175366291) is bis(acetonitrile);1,1'-biphenyl.
What is the SMILES notation for bis(acetonitrile);1,1'-biphenyl?
The canonical SMILES for bis(acetonitrile);1,1'-biphenyl is CC#N.CC#N.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of bis(acetonitrile);1,1'-biphenyl?
The InChIKey is FXVFQHTWNOLPIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.2C2H3N/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2-3/h1-10H;2*1H3.
What are the key properties of bis(acetonitrile);1,1'-biphenyl?
bis(acetonitrile);1,1'-biphenyl has a molecular weight of 236.32 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(acetonitrile);1,1'-biphenyl is sourced from PubChem (CID 175366291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).