Cas no 646033-80-9 (Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris-)
646033-80-9 structure
Product Name:Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris-
CAS No:646033-80-9
MF:C42H33N3
MW:579.731529951096
CID:422423
Update Time:2024-01-29
Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris- Chemical and Physical Properties
Names and Identifiers
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- Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris-
- Pyridine, 2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris- (9CI)
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- Inchi: 1S/C42H33N3/c1-28-13-19-31(20-14-28)37-40(34-10-4-7-25-43-34)38(32-21-15-29(2)16-22-32)42(36-12-6-9-27-45-36)39(33-23-17-30(3)18-24-33)41(37)35-11-5-8-26-44-35/h4-27H,1-3H3
- InChI Key: XRSGVUIKCDAHAP-UHFFFAOYSA-N
- SMILES: C1(C2=C(C3=NC=CC=C3)C(C3=CC=C(C)C=C3)=C(C3=NC=CC=C3)C(C3=CC=C(C)C=C3)=C2C2=NC=CC=C2)=CC=C(C)C=C1
Computed Properties
- Exact Mass: 579.26769
Experimental Properties
- Density: 1.137±0.06 g/cm3(Predicted)
- Melting Point: 305 °C (decomp)
- Boiling Point: 578.9±45.0 °C(Predicted)
- PSA: 38.67
- pka: 4.77±0.50(Predicted)
Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris- Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
646033-80-9 (Pyridine,2,2',2''-[4,4''-dimethyl-5'-(4-methylphenyl)[1,1':3',1''-terphenyl]-2',4',6'-triyl]tris-) Related Products
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