Basic information
- CAS
142030-40-8- Standard SMILES
c1ccc(-c2cc(-c3cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)cc(-c4cc(-c5ccccn5)nc(-c5ccccn5)c4)c3)cc(-c3ccccn3)n2)nc1- InChIKey
PAJKXCKAKLJWRM-UHFFFAOYSA-N- Molecular formula
- C51H33N9
- Average molar mass
- 771.9 g/mol
- Monoisotopic mass
- 771.28589209
Names & identifiers
- Preferred name
- 2~4~,3~4~,4~4~-(Benzene-1,3,5-triyl)tri(1~2~,2~2~:2~6~,3~2~-terpyridine)
- IUPAC
- 4-[3,5-bis(2,6-dipyridin-2-yl-4-pyridinyl)phenyl]-2,6-dipyridin-2-ylpyridine
- English name
- 4-[3,5-Bis(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridine
- Molecular formula
- C51H33N9
- Molecular weight
- 771.87
Names & synonyms
142030-40-8DTXSID707276162~4~,3~4~,4~4~-(Benzene-1,3,5-triyl)tri(1~2~,2~2~:2~6~,3~2~-terpyridine)RefChem:269317DTXCID606783601,3,5-Tri([2,2':6',2''-terpyridin]-4'-yl)benzene2,2':6',2''-Terpyridine, 4',4'''',4'''''''-(1,3,5-benzenetriyl)tris-4-[3,5-bis(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dipyridin-2-ylpyridineorb3213181SCHEMBL12925673C51H33N9H42041
Show more names
4-[3,5-Bis(2,6-dipyridin-2-ylpyridin-4-yl)phenyl]-2,6-dip
F7861351,3,5tri([2,2':6',2''-terpyridin]-4'-yl)benzene2~4~,2'~4~,2''~4~-(Benzene-1,3,5-triyl)tri(1~2~,2~2~:2~6~,3~2~-terpyridine)4-[3,5-bis[2,6-bis(2-pyridyl)-4-pyridyl]phenyl]-2,6-bis(2-pyridyl)pyridine
Database identifiers
- CAS
142030-40-8- PubChem CID
- 57701768
- DTXSID
DTXSID70727616
Properties
Computed structural properties
- XLogP
- 7.4
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 60
- Formal charge
- 0
- Complexity
- 1,060
Physicochemical properties
- Density
- 1.253 · 1.253±0.06 g/cm3(Predicted)
- pka
- 4.87 · 4.87±0.29(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
Suppliers12 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
河南东元化工科技有限公司16696119288 · [email protected]
上海市凯瑜琳医药科技有限公司021-18721936-595 18721936595 · [email protected]
吉林中科研伸科技有限公司0431-80534353 19917294565 · [email protected]
河南威梯希化工科技有限公司0371-53732842 13383863444 · [email protected]
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
郑州艾克姆化工有限公司037163312495 13303845143 · [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]
郑州研德生物科技有限公司13298105281 · [email protected]
郑州浩创新材料有限公司19139721821; 19139721821 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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