Cas no 89703-16-2 (1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl,3,3'''',5,5''''-tetrakis(1,1-dimethylethyl)-)
89703-16-2 structure
Product Name:1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl,3,3'''',5,5''''-tetrakis(1,1-dimethylethyl)-
CAS No:89703-16-2
MF:C46H54
MW:606.920973300934
CID:592024
PubChem ID:15646885
Update Time:2025-04-19
1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl,3,3'''',5,5''''-tetrakis(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl,3,3'''',5,5''''-tetrakis(1,1-dimethylethyl)-
- 3,5,3'''',5''''-TETRA-T-BUTYL-1,1':4',1'':4'',1''':4''',1''''-QUINQUEPHENYL
- 3,5,3'''',5''''-TETRA-T-BUTYL-P-QUINQUEPHENYL
- 3,5,3'',5''-TETRA-T-BUTYL-P-QUINQUEPHENYL
- 3,5,3'',5''-tetra-tert-butyl-p-quinquephenyl
- 3,5,3'''',5''''-TETRA-T-BUTYL-1,1'
- 89703-16-2
-
- Inchi： 1S/C46H54/c1-43(2,3)39-25-37(26-40(29-39)44(4,5)6)35-21-17-33(18-22-35)31-13-15-32(16-14-31)34-19-23-36(24-20-34)38-27-41(45(7,8)9)30-42(28-38)46(10,11)12/h13-30H,1-12H3
- InChI Key： JCRAIAVOLCUDBD-UHFFFAOYSA-N
- SMILES： C(C)(C)(C)C1C=C(C2C=CC(C3C=CC(=CC=3)C3C=CC(=CC=3)C3C=C(C=C(C=3)C(C)(C)C)C(C)(C)C)=CC=2)C=C(C=1)C(C)(C)C
Computed Properties
- Exact Mass: 606.42300
- Monoisotopic Mass: 606.422551722g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 0
- Heavy Atom Count: 46
- Rotatable Bond Count: 8
- Complexity: 797
- 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: 15.1
- Topological Polar Surface Area: 0?2
Experimental Properties
- PSA: 0.00000
- LogP: 13.54460
1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl,3,3'''',5,5''''-tetrakis(1,1-dimethylethyl)- Related Literature
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
89703-16-2 (1,1':4',1'':4'',1''':4''',1''''-Quinquephenyl,3,3'''',5,5''''-tetrakis(1,1-dimethylethyl)-) Related Products
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