Cas no 69079-53-4 (Triphenylene, 2,3,6,7,10,11-hexakis(heptyloxy)-)
69079-53-4 structure
Product Name:Triphenylene, 2,3,6,7,10,11-hexakis(heptyloxy)-
CAS No:69079-53-4
MF:C60H96O6
MW:913.400659561157
CID:387521
PubChem ID:15364221
Update Time:2025-04-19
Triphenylene, 2,3,6,7,10,11-hexakis(heptyloxy)- Chemical and Physical Properties
Names and Identifiers
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- Triphenylene, 2,3,6,7,10,11-hexakis(heptyloxy)-
- 2,3,6,7,10,11-hexaheptoxytriphenylene
- DTXSID90572009
- 2,3,6,7,10,11-hexakis(heptyloxy)triphenylene
- 69079-53-4
-
- Inchi： 1S/C60H96O6/c1-7-13-19-25-31-37-61-55-43-49-50(44-56(55)62-38-32-26-20-14-8-2)52-46-58(64-40-34-28-22-16-10-4)60(66-42-36-30-24-18-12-6)48-54(52)53-47-59(65-41-35-29-23-17-11-5)57(45-51(49)53)63-39-33-27-21-15-9-3/h43-48H,7-42H2,1-6H3
- InChI Key： GDYRXNRKOCDNBQ-UHFFFAOYSA-N
- SMILES： O(CCCCCCC)C1=C(C=C2C3C=C(C(=CC=3C3C=C(C(=CC=3C2=C1)OCCCCCCC)OCCCCCCC)OCCCCCCC)OCCCCCCC)OCCCCCCC
Computed Properties
- Exact Mass: 912.72069078g/mol
- Monoisotopic Mass: 912.72069078g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 66
- Rotatable Bond Count: 42
- Complexity: 886
- 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: 22
- Topological Polar Surface Area: 55.4?2
Triphenylene, 2,3,6,7,10,11-hexakis(heptyloxy)- Related Literature
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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