1,1'-biphenyl cyanide

C13H10N- — CID 160660269

IUPAC1,1'-biphenyl cyanide
SMILES[C-]#N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.CN/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h1-10H;/q;-1
InChIKeyRLOSRCUFYXDHPG-UHFFFAOYSA-N
MW180.23 g/mol
LogP3.45
Rot. Bonds1

About 1,1'-biphenyl cyanide

1,1'-biphenyl cyanide (PubChem CID 160660269) has the molecular formula C13H10N- and a molecular weight of 180.23 g/mol. Its IUPAC name is 1,1'-biphenyl cyanide.

Molecular Properties

Compound Name1,1'-biphenyl cyanide
PubChem CID160660269
Molecular FormulaC13H10N-
Molecular Weight180.23 g/mol
Exact Mass180.08
IUPAC Name1,1'-biphenyl cyanide
SMILES[C-]#N.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.CN/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h1-10H;/q;-1
InChIKeyRLOSRCUFYXDHPG-UHFFFAOYSA-N
XLogP3.45
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

benzene;tris(1,1'-biphenyl)
CID 162155747
1,1'-biphenyl;hydrofluoride
CID 67516975
1,1'-biphenyl;mercury
CID 67099988
bis(1,1'-biphenyl);sulfane
CID 22247507
CID 53446764
CID 53446764
benzene;bis(1,1'-biphenyl);methane
CID 158742993
1,1'-biphenyl;indigane
CID 174363765
1,1'-biphenyl;hydroiodide
CID 66586334
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
CID 162140615
CID 162140615
1,1'-biphenyl;carbon monoxide;chromium
CID 11066186
beryllium;1,1'-biphenyl;hydride
CID 173156439

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl cyanide?
The IUPAC name of 1,1'-biphenyl cyanide (CID 160660269) is 1,1'-biphenyl cyanide.
What is the SMILES notation for 1,1'-biphenyl cyanide?
The canonical SMILES for 1,1'-biphenyl cyanide is [C-]#N.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl cyanide?
The InChIKey is RLOSRCUFYXDHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.CN/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2/h1-10H;/q;-1.
What are the key properties of 1,1'-biphenyl cyanide?
1,1'-biphenyl cyanide has a molecular weight of 180.23 g/mol, XLogP of 3.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl cyanide is sourced from PubChem (CID 160660269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).