acetylene;biphenylene

C16H12 — CID 159796099

IUPACacetylene;biphenylene
SMILESC#C.C#C.c1ccc2c(c1)=c1ccccc1=2
InChIInChI=1S/C12H8.2C2H2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;2*1-2/h1-8H;2*1-2H
InChIKeyNJERMAFCEAVNHB-UHFFFAOYSA-N
MW204.27 g/mol
LogP3.07
Rot. Bonds

About acetylene;biphenylene

acetylene;biphenylene (PubChem CID 159796099) has the molecular formula C16H12 and a molecular weight of 204.27 g/mol. Its IUPAC name is acetylene;biphenylene.

Molecular Properties

Compound Nameacetylene;biphenylene
PubChem CID159796099
Molecular FormulaC16H12
Molecular Weight204.27 g/mol
Exact Mass204.09
IUPAC Nameacetylene;biphenylene
SMILESC#C.C#C.c1ccc2c(c1)=c1ccccc1=2
InChIInChI=1S/C12H8.2C2H2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;2*1-2/h1-8H;2*1-2H
InChIKeyNJERMAFCEAVNHB-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

acetylene;1,1'-biphenyl
CID 161077140
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CID 175515922
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CID 141495292
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CID 23136649
acetylene;N,N-diphenylaniline
CID 162160270
CID 174934257
CID 174934257
CID 132965849
CID 132965849
hydroxyazanium;tetraphenylboranuide
CID 171792531
methanamine;tetraphenylboranuide
CID 175835863
tetraphenylboranuide tetrafluoroborate
CID 87564099
ethane;trimethyl(phenyl)boranuide
CID 91180223
naphthalene
CID 21288458

Frequently Asked Questions

What is the IUPAC name of acetylene;biphenylene?
The IUPAC name of acetylene;biphenylene (CID 159796099) is acetylene;biphenylene.
What is the SMILES notation for acetylene;biphenylene?
The canonical SMILES for acetylene;biphenylene is C#C.C#C.c1ccc2c(c1)=c1ccccc1=2.
What is the InChIKey of acetylene;biphenylene?
The InChIKey is NJERMAFCEAVNHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.2C2H2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;2*1-2/h1-8H;2*1-2H.
What are the key properties of acetylene;biphenylene?
acetylene;biphenylene has a molecular weight of 204.27 g/mol, XLogP of 3.07, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;biphenylene is sourced from PubChem (CID 159796099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).