1,1'-biphenyl;ethynylphosphane

C14H13P — CID 159292728

IUPAC1,1'-biphenyl;ethynylphosphane
SMILESC#CP.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1-10H;1H,3H2
InChIKeyLAIFTZVDNFHSIK-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.81
Rot. Bonds1

About 1,1'-biphenyl;ethynylphosphane

1,1'-biphenyl;ethynylphosphane (PubChem CID 159292728) has the molecular formula C14H13P and a molecular weight of 212.23 g/mol. Its IUPAC name is 1,1'-biphenyl;ethynylphosphane.

Molecular Properties

Compound Name1,1'-biphenyl;ethynylphosphane
PubChem CID159292728
Molecular FormulaC14H13P
Molecular Weight212.23 g/mol
Exact Mass212.08
IUPAC Name1,1'-biphenyl;ethynylphosphane
SMILESC#CP.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C2H3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1-10H;1H,3H2
InChIKeyLAIFTZVDNFHSIK-UHFFFAOYSA-N
XLogP3.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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benzene;tris(1,1'-biphenyl)
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1,1'-biphenyl;mercury
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1,1'-biphenyl;hydrofluoride
CID 67516975
bis(1,1'-biphenyl);sulfane
CID 22247507
1,4-diphenylbenzene;1-phenyl-4-(4-phenylphenyl)benzene
CID 162098364
1,1'-biphenyl;hydroiodide
CID 66586334
1,1'-biphenyl;indigane
CID 174363765
benzene;bis(1,1'-biphenyl);methane
CID 158742993
CID 53446764
CID 53446764
CID 162140615
CID 162140615
1,1'-biphenyl;molecular hydrogen
CID 173033571

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;ethynylphosphane?
The IUPAC name of 1,1'-biphenyl;ethynylphosphane (CID 159292728) is 1,1'-biphenyl;ethynylphosphane.
What is the SMILES notation for 1,1'-biphenyl;ethynylphosphane?
The canonical SMILES for 1,1'-biphenyl;ethynylphosphane is C#CP.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;ethynylphosphane?
The InChIKey is LAIFTZVDNFHSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C2H3P/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-3/h1-10H;1H,3H2.
What are the key properties of 1,1'-biphenyl;ethynylphosphane?
1,1'-biphenyl;ethynylphosphane has a molecular weight of 212.23 g/mol, XLogP of 3.81, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;ethynylphosphane is sourced from PubChem (CID 159292728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).