Cas no 21884-42-4 (Chlorobiumquinone)
Chlorobiumquinone structure
Product Name:Chlorobiumquinone
CAS No:21884-42-4
MF:C46H62O3
MW:662.982694149017
CID:289300
Update Time:2024-02-29
Chlorobiumquinone Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-1-oxo-2,6,10,14,18,22,26-octacosaheptaen-1-yl]-3-methyl-
- 1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-1-oxo-2,6,10,14,18,22,26-octacosaheptaen-1-yl]
- 1,4-Naphthalenedione,2-(3,7,11,15,19,23,27-heptamethyl-1-oxo-2,6,10,14,18,22,26-octacosaheptaenyl)-3-methyl-,(all-E)-
- 1,4-Naphthalenedione,2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-heptamethyl-1-oxo-2,6,10,14,18,22,26-octacosaheptaenyl]-3-methyl-(9CI)
- 1,4-Naphthoquinone,2-(3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenoyl)-3-methyl-,(all-E)- (8CI)
- Chlorobiumquinone (7CI)
- Menaquinone 7, 1'-oxo-
- CID 101297627
- 1'-Oxomenaquinone-7
- 2-[(2E,6E,10E,14E,18E,22E)-1-Oxo-3,7,11,15,19,23,27-heptamethyl-2,6,10,14,18,22,26-octacosaheptaenyl]-3-methyl-1,4-naphthalenedione
- 2-[(2E,6E,10E,14E,18E,22E)-3,7,11,15,19,23,27-Heptamethyl-1-oxo-2,6,10,14,18,22,26-octacosaheptenyl]-3-methyl-1,4-naphthoquinone
- Chlorobiumquinone
-
- Inchi： 1S/C46H62O3/c1-33(2)18-12-19-34(3)20-13-21-35(4)22-14-23-36(5)24-15-25-37(6)26-16-27-38(7)28-17-29-39(8)32-43(47)44-40(9)45(48)41-30-10-11-31-42(41)46(44)49/h10-11,18,20,22,24,26,28,30-32H,12-17,19,21,23,25,27,29H2,1-9H3/b34-20+,35-22+,36-24+,37-26+,38-28+,39-32+
- InChI Key： WYIOTAYJBOUXHX-DTXAQOGUSA-N
- SMILES： O=C(/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/CC/C=C(\C)/C)C1C(C2C=CC=CC=2C(C=1C)=O)=O
Computed Properties
- Exact Mass: 662.47
- Monoisotopic Mass: 662.47
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 49
- Rotatable Bond Count: 20
- Complexity: 1390
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 6
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 51.2
Chlorobiumquinone Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Min Kim,Jae-Joon Lee,Tengling Ye,Panagiotis E. Keivanidis,Kilwon Cho J. Mater. Chem. C, 2020,8, 1686-1696
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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