Cas no 831235-68-8 (Quinoline, 3,3',3''-(1,3,5-benzenetriyl)tris-)
831235-68-8 structure
Product Name:Quinoline, 3,3',3''-(1,3,5-benzenetriyl)tris-
CAS No:831235-68-8
MF:C33H21N3
MW:459.539947271347
CID:677319
PubChem ID:12172728
Update Time:2025-04-19
Quinoline, 3,3',3''-(1,3,5-benzenetriyl)tris- Chemical and Physical Properties
Names and Identifiers
-
- Quinoline, 3,3',3''-(1,3,5-benzenetriyl)tris-
- 3-[3,5-di(quinolin-3-yl)phenyl]quinoline
- DTXSID30479164
- 831235-68-8
-
- Inchi： 1S/C33H21N3/c1-4-10-31-22(7-1)13-28(19-34-31)25-16-26(29-14-23-8-2-5-11-32(23)35-20-29)18-27(17-25)30-15-24-9-3-6-12-33(24)36-21-30/h1-21H
- InChI Key： DNGWOBSPGKGNPW-UHFFFAOYSA-N
- SMILES： N1C2C=CC=CC=2C=C(C=1)C1C=C(C2C=NC3C=CC=CC=3C=2)C=C(C2C=NC3C=CC=CC=3C=2)C=1
Computed Properties
- Exact Mass: 459.173547683g/mol
- Monoisotopic Mass: 459.173547683g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 36
- Rotatable Bond Count: 3
- Complexity: 617
- 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: 7.6
- Topological Polar Surface Area: 38.7?2
Quinoline, 3,3',3''-(1,3,5-benzenetriyl)tris- Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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