| CAS Number | 1160994-29-5 |
| Catalog Number | AG0096HX(AGN-PC-0WNMMH) |
| Chemical Name | N,N-DIBUTYL-4-(7-ETHYL-3-(2-FLUOROPHENYL)-3,7-DIHYDROPYRANO[2,3-C]CARBAZOL-3-YL)BENZENAMINE |
| IUPAC Name | N,N-dibutyl-4-[7-ethyl-3-(2-fluorophenyl)pyrano[2,3-c]carbazol-3-yl]aniline |
| InChI | InChI=1S/C37H39FN2O/c1-4-7-25-39(26-8-5-2)28-19-17-27(18-20-28)37(31-14-10-11-15-32(31)38)24-23-30-35(41-37)22-21-34-36(30)29-13-9-12-16-33(29)40(34)6-3/h9-24H,4-8,25-26H2,1-3H3 |
| InChI Key | BEFZVPFHTUHFMF-UHFFFAOYSA-N |
| MDL Number | MFCD12545987 |
| Molecular Formula | C37H39FN2O |
| Molecular Weight | 546.7168 |
| SMILES | CCCCN(CCCC)c1ccc(cc1)C2(C=Cc3c(ccc4c3c5ccccc5n4CC)O2)c6ccccc6F |
| Synonyms | 1160994-29-5,
N,N-Dibutyl-4-(7-ethyl-3-(2-fluorophenyl)-3,7-dihydropyrano[2,3-c]carbazol-3-yl)benzenamine,
N,N-Dibutyl-4-(7-ethyl-3-(2-fluorophenyl)-3,7-dihydropyrano[2,3-c]carbazol-3-yl)aniline,
MFCD12545987,
AS-40828,
Q-9088,
Dibutyl-{4-[7-ethyl-3-(2-fluoro-phenyl)-3,7-dihydro-4-oxa-7-aza-benzo[c]fluoren-3-yl]-phenyl}-amine,
N,N-dibutyl-4-(7-ethyl-3-(2-fluorophenyl)-3,7-dihydropyrano[2,3-c]carbazol-3-yl)benzenamine, 95% - 1G 1g,
|
| Complexity | 848 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 546.305g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 41 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 546.73g/mol |
| Monoisotopic Mass | 546.305g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 17.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number