Basic information
- CAS
137961-52-5- Standard SMILES
Oc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(O)cc6)[nH]c5c4)cc3[nH]2)cc1- InChIKey
LUIYJLIHLJLIPT-UHFFFAOYSA-N- Molecular formula
- C26H18N4O2
- Average molar mass
- 418.4 g/mol
- Monoisotopic mass
- 418.14297583
Names & identifiers
- Preferred name
- Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-
- IUPAC
- 4-[6-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol
- English name
- Phenol, 4,4'-[6,6'-bi-1H-benzimidazole]-2,2'-diylbis-
- Molecular formula
- C26H18N4O2
- Molecular weight
- 418.45
Names & synonyms
137961-52-54-{[4-HYDROXY-PHENYL]-1H-BENZIMIDAZOLE-5-YL}-BENZIMIDAZOLE-2-YL-[4-HYDROXY-BENZENE]4,4'-[6,6'-Bi-1H-benzimidazole]-2,2'-diylbis[phenol]Phenol, 4,4'-[5,5'-bi-1H-benzimidazole]-2,2'-diylbis-E96CHEMBL34682SCHEMBL415254SCHEMBL7248166DTXSID80416125LUIYJLIHLJLIPT-UHFFFAOYSA-NQ274598664,4'-(3H,3'H-5,5'-bibenzimidazole-2,2'-diyl)diphenol
Show more names
4',4'-(5,5-bi-1H-benzimidazol)-2,2-diylbis(phenol)4,4′-[6,6′-Bi-1H-benzimidazole]-2,2′-diylbis[phenolPhenol, 4,4'-[6,6'-bi-1H-benzimidazole]-2,2'-diylbis-
4,4'-(1H,1'H-5,5'-Bibenzo[d]imidazole-2,2'-diyl)diphenol4,4'-[6,6'-BI-1H-BENZIMIDAZOLE]-2,2'-DIYLBIS-PHENOL4-[6-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]phenol4,4 inverted exclamation marka-[6,6 inverted exclamation marka-Bi-1H-benzimidazole]-2,2 inverted exclamation marka-diylbis[phenol]4,4'-(1,1',3,3'-Tetrahydro-2H,2'H-[5,5'-bi-1,3-benzimidazole]-2,2'-diylidene)di(cyclohexa-2,5-dien-1-one)
Database identifiers
Properties
Computed structural properties
- XLogP
- 5.3
- Topological polar surface area
- 97.8 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 579
Physicochemical properties
- Melting point
- 256 · 256-260 °C
- Boiling point
- 807.6 · 807.6±75.0 °C(Predicted)
- Density
- 1.425 · 1.425±0.06 g/cm3(Predicted)
- pka
- 8.95 · 8.95±0.15(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers5 total
吉林中科研伸科技有限公司18143011203 · [email protected]
上海敏寒医药科技有限公司17612188245 · [email protected]
河南阿尔法化工有限公司0371-55051623 18137891487 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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