Cas no 70351-88-1 (Triphenylene, 2,3,6,7,10,11-hexakis(nonyloxy)-)
70351-88-1 structure
Product Name:Triphenylene, 2,3,6,7,10,11-hexakis(nonyloxy)-
CAS No:70351-88-1
MF:C72H120O6
MW:1081.71962356567
CID:531110
PubChem ID:15435091
Update Time:2025-04-19
Triphenylene, 2,3,6,7,10,11-hexakis(nonyloxy)- Chemical and Physical Properties
Names and Identifiers
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- Triphenylene, 2,3,6,7,10,11-hexakis(nonyloxy)-
- 2,3,6,7,10,11-hexa(nonoxy)triphenylene
- SCHEMBL8974064
- 2,3,6,7,10,11-HEXAKIS(NONYLOXY)TRIPHENYLENE
- 70351-88-1
- DTXSID00572752
-
- Inchi： 1S/C72H120O6/c1-7-13-19-25-31-37-43-49-73-67-55-61-62(56-68(67)74-50-44-38-32-26-20-14-8-2)64-58-70(76-52-46-40-34-28-22-16-10-4)72(78-54-48-42-36-30-24-18-12-6)60-66(64)65-59-71(77-53-47-41-35-29-23-17-11-5)69(57-63(61)65)75-51-45-39-33-27-21-15-9-3/h55-60H,7-54H2,1-6H3
- InChI Key： XWRRXWLNNCUCSC-UHFFFAOYSA-N
- SMILES： O(CCCCCCCCC)C1=C(C=C2C3C=C(C(=CC=3C3C=C(C(=CC=3C2=C1)OCCCCCCCCC)OCCCCCCCCC)OCCCCCCCCC)OCCCCCCCCC)OCCCCCCCCC
Computed Properties
- Exact Mass: 1080.90849154g/mol
- Monoisotopic Mass: 1080.90849154g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 78
- Rotatable Bond Count: 54
- Complexity: 1050
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 28.5
- Topological Polar Surface Area: 55.4?2
Triphenylene, 2,3,6,7,10,11-hexakis(nonyloxy)- Related Literature
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Christian K. Rank,Alexander W. Jones,Tatjana Wall,Patrick Di Martino-Fumo,Sarah Schr?ck,Markus Gerhards,Frederic W. Patureau Chem. Commun., 2019,55, 13749-13752
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
70351-88-1 (Triphenylene, 2,3,6,7,10,11-hexakis(nonyloxy)-) Related Products
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