Cas no 570387-45-0 (Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis-)
570387-45-0 structure
Product Name:Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis-
CAS No:570387-45-0
MF:C28H18S2
MW:418.572524547577
CID:346869
PubChem ID:71444357
Update Time:2025-04-19
Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis- Chemical and Physical Properties
Names and Identifiers
-
- Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis-
- 2-[1-(2-thiophen-2-ylnaphthalen-1-yl)naphthalen-2-yl]thiophene
- 2,2'-([1,1'-Binaphthalene]-2,2'-diyl)dithiophene
- 570387-45-0
- DTXSID50853144
-
- Inchi: 1S/C28H18S2/c1-3-9-21-19(7-1)13-15-23(25-11-5-17-29-25)27(21)28-22-10-4-2-8-20(22)14-16-24(28)26-12-6-18-30-26/h1-18H
- InChI Key: MWPQTEQJZRYQDX-UHFFFAOYSA-N
- SMILES: S1C=CC=C1C1=CC=C2C=CC=CC2=C1C1C(C2=CC=CS2)=CC=C2C=CC=CC=12
Computed Properties
- Exact Mass: 418.08514
- Monoisotopic Mass: 418.08499292g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 30
- Rotatable Bond Count: 3
- Complexity: 525
- 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: 8.7
- Topological Polar Surface Area: 56.5?2
Experimental Properties
- PSA: 0
Thiophene, 2,2'-[1,1'-binaphthalene]-2,2'-diylbis- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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