Cas no 54785-18-1 ((3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate)
54785-18-1 structure
Product Name:(3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate
CAS No:54785-18-1
MF:C25H19NO8
MW:461.420267343521
CID:942833
PubChem ID:301457
Update Time:2025-04-19
(3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate Chemical and Physical Properties
Names and Identifiers
-
- (3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate
- 2,3,8,9-tetraacetoxy-benzo[c]phenanthridine
- 2,3,8,9-Tetraacetoxybenzo< c> phenanthridin
- AC1L6YGQ
- benzo[c]phenanthridine-2,3,8,9-tetrayl tetraacetate
- NSC179201
- DTXSID40306674
- 54785-18-1
- NSC-179201
-
- Inchi: 1S/C25H19NO8/c1-12(27)31-21-7-16-5-6-18-19-9-23(33-14(3)29)22(32-13(2)28)8-17(19)11-26-25(18)20(16)10-24(21)34-15(4)30/h5-11H,1-4H3
- InChI Key: PSZGYLBXZNOKSU-UHFFFAOYSA-N
- SMILES: O(C(C)=O)C1C(=CC2C=CC3=C4C=C(C(=CC4=CN=C3C=2C=1)OC(C)=O)OC(C)=O)OC(C)=O
Computed Properties
- Exact Mass: 461.11107
- Monoisotopic Mass: 461.11106656g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 9
- Heavy Atom Count: 34
- Rotatable Bond Count: 8
- Complexity: 815
- 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: 3.7
- Topological Polar Surface Area: 118?2
Experimental Properties
- PSA: 118.09
- LogP: 4.24240
(3,8,9-triacetyloxybenzo[c]phenanthridin-2-yl) Acetate Related Literature
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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