acetylene;1,1'-biphenyl

C16H14 — CID 161077140

IUPACacetylene;1,1'-biphenyl
SMILESC#C.C#C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2/h1-10H;2*1-2H
InChIKeyUFKROTNEORVMNI-UHFFFAOYSA-N
MW206.29 g/mol
LogP3.85
Rot. Bonds1

About acetylene;1,1'-biphenyl

acetylene;1,1'-biphenyl (PubChem CID 161077140) has the molecular formula C16H14 and a molecular weight of 206.29 g/mol. Its IUPAC name is acetylene;1,1'-biphenyl.

Molecular Properties

Compound Nameacetylene;1,1'-biphenyl
PubChem CID161077140
Molecular FormulaC16H14
Molecular Weight206.29 g/mol
Exact Mass206.11
IUPAC Nameacetylene;1,1'-biphenyl
SMILESC#C.C#C.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.2C2H2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2/h1-10H;2*1-2H
InChIKeyUFKROTNEORVMNI-UHFFFAOYSA-N
XLogP3.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of acetylene;1,1'-biphenyl?
The IUPAC name of acetylene;1,1'-biphenyl (CID 161077140) is acetylene;1,1'-biphenyl.
What is the SMILES notation for acetylene;1,1'-biphenyl?
The canonical SMILES for acetylene;1,1'-biphenyl is C#C.C#C.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of acetylene;1,1'-biphenyl?
The InChIKey is UFKROTNEORVMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.2C2H2/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;2*1-2/h1-10H;2*1-2H.
What are the key properties of acetylene;1,1'-biphenyl?
acetylene;1,1'-biphenyl has a molecular weight of 206.29 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;1,1'-biphenyl is sourced from PubChem (CID 161077140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).