Cas no 17094-17-6 (C7-Indocyanine)
C7-Indocyanine structure
Product Name:C7-Indocyanine
CAS No:17094-17-6
MF:C31H37IN2
MW:564.543360471725
CID:234713
PubChem ID:25164044
Update Time:2024-11-05
C7-Indocyanine Chemical and Physical Properties
Names and Identifiers
-
- 3H-Indolium,1-ethyl-2-[7-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-3,3-dimethyl-,iodide (1:1)
- 3H-Indolium,1-ethyl-2-[7-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3,5-heptatrien-1-yl]-3,3-dimethyl-,iodide (1
- 1-Ethyl-2-[7-(1-ethyl-3,3-dimethyl-2-indolinylidene)-1,3,5-heptatrienyl]-3,3-dimethyl-3H-indoliumiodide (7CI)
- 3H-Indolium, 1-ethyl-2-[7-(1-ethyl-3,3-dimethyl-2-indolinylidene)-1,3,5-heptatrienyl]-3,3-dimethyl-,iodide (8CI)
- 3H-Indolium,1-ethyl-2-[7-(1-ethyl-1,3-dihydro-3,3-dimethyl-2H-indol-2-ylidene)-1,3,5-heptatrienyl]-3,3-dimethyl-,iodide (9CI)
- Indotricarbocyanine iodide,1,1',3,3'-tetramethyl-
- NK 1414
- C7-indocyanine
- Indotricarbocyanine (C7) dye
- 1-Ethyl-2-(7-(1-ethyl-3,3-dimethylindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-3H-indol-1-ium iodide
- Q27122979
- 1-ethyl-2-[7-(1-ethyl-3,3-dimethyl-1,3-dihydro-2H-indol-2-ylidene)hepta-1,3,5-trien-1-yl]-3,3-dimethyl-3H-indolium iodide
- 1-Ethyl-2-(7-(1-ethyl-3,3-dimethylindolin-2-ylidene)hepta-1,3,5-trien-1-yl)-3,3-dimethyl-3H-indol-1-iumiodide
- (2Z)-1-ethyl-2-[(2E,4E,6E)-7-(1-ethyl-3,3-dimethylindol-1-ium-2-yl)hepta-2,4,6-trienylidene]-3,3-dimethylindole;iodide
- 17094-17-6
- CHEBI:51901
- SCHEMBL10864237
- C7-Indocyanine
-
- Inchi： 1S/C31H37N2.HI/c1-7-32-26-20-16-14-18-24(26)30(3,4)28(32)22-12-10-9-11-13-23-29-31(5,6)25-19-15-17-21-27(25)33(29)8-2;/h9-23H,7-8H2,1-6H3;1H/q+1;/p-1
- InChI Key： MOCQTYXDGSDJGM-UHFFFAOYSA-M
- SMILES： [I-].[N+]1(CC)C2C=CC=CC=2C(C)(C)C=1/C=C/C=C/C=C/C=C1/C(C)(C)C2C=CC=CC=2N/1CC
Computed Properties
- Exact Mass: 564.20015g/mol
- Monoisotopic Mass: 564.20015g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 34
- Rotatable Bond Count: 6
- Complexity: 784
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 4
- Undefined Bond Stereocenter Count: 0
- Topological Polar Surface Area: 6.2
C7-Indocyanine Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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