acetylene;biphenylene

C14H10 — CID 18175768

IUPACacetylene;biphenylene
SMILESC#C.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C2H2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2/h1-8H;1-2H
InChIKeyGJCJDYWZXVPHDP-UHFFFAOYSA-N
MW178.23 g/mol
LogP3.58
Rot. Bonds

About acetylene;biphenylene

acetylene;biphenylene (PubChem CID 18175768) has the molecular formula C14H10 and a molecular weight of 178.23 g/mol. Its IUPAC name is acetylene;biphenylene.

Molecular Properties

Compound Nameacetylene;biphenylene
PubChem CID18175768
Molecular FormulaC14H10
Molecular Weight178.23 g/mol
Exact Mass178.08
IUPAC Nameacetylene;biphenylene
SMILESC#C.c1ccc2c(c1)-c1ccccc1-2
InChIInChI=1S/C12H8.C2H2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2/h1-8H;1-2H
InChIKeyGJCJDYWZXVPHDP-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 53.58
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

Biphenyl
CID 7095
2-Benzyltoluene
CID 69738
2-Methylbiphenyl
CID 12563
Biphenyl-d10
CID 137030
10,11-dihydro-5H-dibenzo(a,d)cycloheptene
CID 70029
Biphenylene
CID 9214
2,2'-Dimethylbiphenyl
CID 11797
1,1'-Biphenyl, ethyl-
CID 15742
Benzocyclobutene
CID 69667
3-Phenylindene
CID 260967
Methane, di-o-tolyl-
CID 569074
5H-Dibenzo(a,d)cycloheptene
CID 67492

Frequently Asked Questions

What is the IUPAC name of acetylene;biphenylene?
The IUPAC name of acetylene;biphenylene (CID 18175768) is acetylene;biphenylene.
What is the SMILES notation for acetylene;biphenylene?
The canonical SMILES for acetylene;biphenylene is C#C.c1ccc2c(c1)-c1ccccc1-2.
What is the InChIKey of acetylene;biphenylene?
The InChIKey is GJCJDYWZXVPHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8.C2H2/c1-2-6-10-9(5-1)11-7-3-4-8-12(10)11;1-2/h1-8H;1-2H.
What are the key properties of acetylene;biphenylene?
acetylene;biphenylene has a molecular weight of 178.23 g/mol, XLogP of 3.58, 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 18175768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).