Cas no 112543-99-4 (5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,8-(5,6-dihydro-1,2-dimethoxy-4H-dibenzo[de,g]quinolin-7-yl)-6,7-dihydro- (9CI))
![5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,8-(5,6-dihydro-1,2-dimethoxy-4H-dibenzo[de,g]quinolin-7-yl)-6,7-dihydro- (9CI) structure](https://ossimg.kuujia.com/scimg/113000/112543-99-4x500.png)
112543-99-4 structure
Product Name:5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,8-(5,6-dihydro-1,2-dimethoxy-4H-dibenzo[de,g]quinolin-7-yl)-6,7-dihydro- (9CI)
CAS No:112543-99-4
MF:C35H28N2O4
MW:540.607829093933
CID:207086
PubChem ID:183535
Update Time:2025-04-19
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,8-(5,6-dihydro-1,2-dimethoxy-4H-dibenzo[de,g]quinolin-7-yl)-6,7-dihydro- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,8-(5,6-dihydro-1,2-dimethoxy-4H-dibenzo[de,g]quinolin-7-yl)-6,7-dihydro- (9CI)
- 5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,8-(5,6-dihydro-1,2-dimethoxy-4H-dibenzo[de,g]quinolin-7-yl)-6,7-dihydro- (9CI
- Heteropsine
- DTXSID00150099
- BDBM50292453
- CHEMBL446266
- 112543-99-4
-
- Inchi： 1S/C35H28N2O4/c1-38-24-15-18-11-13-36-32-26(18)30(34(24)39-2)22-9-5-3-7-20(22)28(32)29-21-8-4-6-10-23(21)31-27-19(12-14-37-33(27)29)16-25-35(31)41-17-40-25/h3-10,15-16,36-37H,11-14,17H2,1-2H3
- InChI Key： RUQINKCOJMAFCG-UHFFFAOYSA-N
- SMILES： O1COC2=CC3CCNC4C=3C(=C12)C1C=CC=CC=1C=4C1C2C=CC=CC=2C2=C(C(=CC3CCNC=1C2=3)OC)OC
Computed Properties
- Exact Mass: 540.20504
- Monoisotopic Mass: 540.20490738g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 41
- Rotatable Bond Count: 3
- Complexity: 965
- 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: 8.3
- Topological Polar Surface Area: 61?2
Experimental Properties
- PSA: 60.98
5H-Benzo[g]-1,3-benzodioxolo[6,5,4-de]quinoline,8-(5,6-dihydro-1,2-dimethoxy-4H-dibenzo[de,g]quinolin-7-yl)-6,7-dihydro- (9CI) Related Literature
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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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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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
Related Categories
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Quinolines and derivatives Naphthylquinolines
- Solvents and Organic Chemicals Organic Compounds Organoheterocyclic compounds Quinolines and derivatives Phenylquinolines Naphthylquinolines
- Natural Products and Extracts Plant Extracts Plant based Unonopsis spectabilis
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