Cas no 918654-97-4 (Pyrene, 1,1'-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3''''-diylbis-)
![Pyrene, 1,1'-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3''''-diylbis- structure](https://ossimg.kuujia.com/scimg/919000/918654-97-4x500.png)
918654-97-4 structure
Product Name:Pyrene, 1,1'-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3''''-diylbis-
CAS No:918654-97-4
MF:C62H38
MW:782.965136051178
CID:771982
PubChem ID:71426539
Update Time:2025-04-19
Pyrene, 1,1'-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3''''-diylbis- Chemical and Physical Properties
Names and Identifiers
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- Pyrene, 1,1'-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3''''-diylbis-
- 1-[3-[4-[3-[4-(3-pyren-1-ylphenyl)phenyl]phenyl]phenyl]phenyl]pyrene
- 918654-97-4
- 1~3~,5~3~-Di(pyren-1-yl)-1~1~,2~1~:2~4~,3~1~:3~3~,4~1~:4~4~,5~1~-quinquephenyl
- DTXSID20845293
-
- Inchi： 1S/C62H38/c1-6-43-24-26-47-28-32-55(57-34-30-45(8-1)59(43)61(47)57)53-14-4-12-51(37-53)41-20-16-39(17-21-41)49-10-3-11-50(36-49)40-18-22-42(23-19-40)52-13-5-15-54(38-52)56-33-29-48-27-25-44-7-2-9-46-31-35-58(56)62(48)60(44)46/h1-38H
- InChI Key： IHPKIUBAVAJHLT-UHFFFAOYSA-N
- SMILES： C12C3C=CC4=CC=CC(=CC=C1C(C1C=CC=C(C5C=CC(=CC=5)C5C=CC=C(C=5)C5C=CC(=CC=5)C5=CC=CC(=C5)C5=CC=C6C=CC7=CC=CC8=CC=C5C6=C87)C=1)=CC=3)C=24
Computed Properties
- Exact Mass: 782.297351212g/mol
- Monoisotopic Mass: 782.297351212g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 62
- Rotatable Bond Count: 6
- Complexity: 1370
- 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: 17.9
- Topological Polar Surface Area: 0?2
Pyrene, 1,1'-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3''''-diylbis- Related Literature
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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4. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
918654-97-4 (Pyrene, 1,1'-[1,1':4',1'':3'',1''':4''',1''''-quinquephenyl]-3,3''''-diylbis-) Related Products
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