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| Name |
4,5:4',5'-Dibenzo-1,1',3,3,3',3'-hexamethylindadicarbocyanine perchlorate |
EINECS | N/A |
| CAS No. | 54389-98-9 | Density | N/A |
| PSA | 80.52000 | LogP | 7.38560 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C35H43ClN2O4 | Boiling Point | N/A |
| Molecular Weight | 583.127 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
1,1',3,3,3',3'-Hexamethyl-4,4',5,5'-dibenzoindodicarbocyanineperchlorate;1,3,3,1',3',3'-Hexamethyl-4,5,4',5'-dibenzoindodicarbocyanine perchlorate;IR 676;IR 676 perchlorate;NK 2929;Organica 391;1H-Benz[e]indolium,2-[5-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadienyl]-1,1,3-trimethyl-,perchlorate (9CI); |
4,5:4',5'-Dibenzo-1,1',3,3,3',3'-hexamethylindadicarbocyanine perchlorate Specification
The cas register number of 4,5:4',5'-Dibenzo-1,1',3,3,3',3'-hexamethylindadicarbocyanine perchlorate is 54389-98-9. It also can be called as 1H-Benz[e]indolium, 2-[5-(1,3-dihydro-1,1,3-trimethyl-2H-benz[e]indol-2-ylidene)-1,3-pentadien-1-yl]-1,1,3-trimethyl-,perchlorate (1:1) and the Systematic name about this chemical is 1,1,3-trimethyl-2-[(1E,3E,5Z)-5-(1,1,3-trimethyl-1,3-dihydro-2H-benzo[e]indol-2-ylidene)penta-1,3-dien-1-yl]-1H-benzo[e]indolium perchlorate.
Physical properties about 4,5:4',5'-Dibenzo-1,1',3,3,3',3'-hexamethylindadicarbocyanine perchlorate are: (1)#H bond acceptors: 6; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 80.52Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [O-]Cl(=O)(=O)=O.c2c1ccc6c(c1ccc2)C(C(=C\C=C\C=C\C5=[N+](\c4ccc3c(cccc3)c4C5(C)C)C)\N6C)(C)C
(2)InChI: InChI=1/C35H35N2.ClHO4/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;2-1(3,4)5/h7-23H,1-6H3;(H,2,3,4,5)/q+1;/p-1
(3)InChIKey: SQKPXUWFYRQDQQ-REWHXWOFAA
(4)Std. InChI: InChI=1S/C35H35N2.ClHO4/c1-34(2)30(36(5)28-22-20-24-14-10-12-16-26(24)32(28)34)18-8-7-9-19-31-35(3,4)33-27-17-13-11-15-25(27)21-23-29(33)37(31)6;2-1(3,4)5/h7-23H,1-6H3;(H,2,3,4,5)/q+1;/p-1
(5)Std. InChIKey: SQKPXUWFYRQDQQ-UHFFFAOYSA-M
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