Diphenylacetylene
PubChem CID: 10390
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| Compound Synonyms | DIPHENYLACETYLENE, 501-65-5, Tolan, 1,2-diphenylethyne, Diphenylethyne, diphenyl acetylene, Tolane, 2-phenylethynylbenzene, 1,2-Diphenylacetylene, Biphenylacetylene, Benzene, 1,1'-(1,2-ethynediyl)bis-, Ethyne, diphenyl-, (2-phenylethynyl)benzene, 1,1'-ethyne-1,2-diyldibenzene, Acetylene, diphenyl-, CHEBI:51579, UNII-Y70JA8HB75, Y70JA8HB75, (Phenylethynyl)benzene, NSC 5185, NSC-5185, EINECS 207-926-6, MFCD00004786, TOLAN [MI], AI3-04360, DTXSID4060109, 1,1-(1,2-ETHYNEDIYL)BISBENZENE, sym-Diphenylacetylene, Diphenylacetylene, 98%, Diphenyacethylene, Ethyne, diphenyl, diphenyl-acetylene, Biphenyl acetylene, Acetylene, diphenyl, 1,2Diphenylacetylene, (Phenylethynyl)benzene #, Acetylene, diphenyl (8CI), YSWG033, CHEMBL223309, DTXCID3040778, 1-(2-phenyl-1-ethynyl)benzene, NSC5185, Benzene, 1,1'(1,2ethynediyl)bis, Benzene,1'-(1,2-ethynediyl)bis-, BDBM50476289, STL453635, AKOS004901131, CS-W017313, FD10621, FS70534, AC-18803, AS-56973, SY012762, DB-004031, D0871, NS00032006, EN300-19945, Q902100, (Phenylethynyl)benzene, 1,1'-(1,2-Ethanediyl)bisbenzene, 1,1?-(1,2-ethynediyl)bis-benzen, 1,1?-(1,2-Ethynediyl)bisbenzene, 1,2-Diphenylacetylene, 25989-14-4 |
|---|---|
| Topological Polar Surface Area | 0.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 14.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 193.0 |
| Database Name | cmaup_ingredients;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | P05067 |
| Iupac Name | 2-phenylethynylbenzene |
| Prediction Hob | 1.0 |
| Target Id | NPT78 |
| Xlogp | 4.8 |
| Molecular Formula | C14H10 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JRXXLCKWQFKACW-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | -4.74 |
| Rotatable Bond Count | 2.0 |
| Logd | 4.105 |
| Compound Name | Diphenylacetylene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 178.078 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 178.078 |
| Hydrogen Bond Acceptor Count | 0.0 |
| Molecular Weight | 178.23 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.590736514285714 |
| Inchi | InChI=1S/C14H10/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h1-10H |
| Smiles | C1=CC=C(C=C1)C#CC2=CC=CC=C2 |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Atractylodes Lancea (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Atractylodes Macrocephala (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all