155614-00-9
Product Name:
1-Butyl-2-[2-[3-[(1-butyl-6-chloro-benz[cd]indol-2(1 H)-ylidene)ethylidene]-2-chloro-5-methyl-1-cyclohexen-1-yl]ethenyl]-6-chlorobenz[cd]indolium tetrafluoroborate
Formula:
C41H40BCl3F4N2
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COMPUTED DESCRIPTORS
| Molecular Weight | 753.9 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 9 |
| Exact Mass | 752.228625 g/mol |
| Monoisotopic Mass | 752.228625 g/mol |
| Topological Polar Surface Area | 6.2 Ų |
| Heavy Atom Count | 51 |
| Formal Charge | 0 |
| Complexity | 1210 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 3 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |