Phenylheptatriyne
Basic information
- CAS
4300-27-0- Standard SMILES
CC#CC#CC#Cc1ccccc1- InChIKey
ACKWHAMNCLDPRO-UHFFFAOYSA-N- Molecular formula
- C13H8
- Average molar mass
- 164.2 g/mol
- Monoisotopic mass
- 164.06260026
Overview
1-Phenylhepta-1,3,5-triyne is a member of benzenes.
Names & identifiers
- Preferred name
- Phenylheptatriyne
- IUPAC
- hepta-1,3,5-triynylbenzene
- English name
- phenylheptatriyne
- Molecular formula
- C13H8
- Molecular weight
- 164.2
Names & synonyms
Phenylheptatriyne1-Phenyl-1,3,5-heptatriyne4300-27-01,3,5-Heptatriynyl-benzenehepta-1,3,5-triynylbenzeneBenzene, 1,3,5-heptatriynyl-BL44U3V466DTXSID00195622RefChem:173072phenyl-1,3,5-heptatriyneDTXCID401181131-Phenylhepta-1,3,5-triyne
Show more names
Benzene, 1,3,5-heptatriyn-1-yl-
Hepta-1,3,5-triyn-1-ylbenzene(hepta-1,3,5-triyn-1-yl)benzeneCHEBI:671UNII-BL44U3V466CHEMBL444776SCHEMBL53182381,3,5-HEPTATRIYN-1-YLBENZENEPHENYL-1,3,5-HEPTATRIYNE, 1-
Database identifiers
- CAS
4300-27-0- PubChem CID
- 77981
- DTXSID
DTXSID00195622- ChEMBL
CHEMBL444776- ChEBI
CHEBI:671- UNII
- BL44U3V466
- Nikkaji
- J516.148G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 340
Experimental & physicochemical properties
LogP4.91
Physicochemical properties
- FDA UNII
- 44 U3V466 · BL44U3V466
Chemistry & industry
Additional notes
DefinitionChEBI: 1-Phenylhepta-1,3,5-triyne is a member of benzenes.
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…