| CAS Number | 916061-87-5 |
| Catalog Number | AG00IGSC(AGN-PC-0VTIL8) |
| Chemical Name | 2-Naphthalenamine,N,N'-(9H-fluoren-9-ylidenedi-4,1-phenylene)bis[N-2-naphthalenyl- |
| IUPAC Name | N-[4-[9-[4-(dinaphthalen-2-ylamino)phenyl]fluoren-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine |
| InChI | InChI=1S/C65H44N2/c1-5-17-49-41-57(33-25-45(49)13-1)66(58-34-26-46-14-2-6-18-50(46)42-58)55-37-29-53(30-38-55)65(63-23-11-9-21-61(63)62-22-10-12-24-64(62)65)54-31-39-56(40-32-54)67(59-35-27-47-15-3-7-19-51(47)43-59)60-36-28-48-16-4-8-20-52(48)44-60/h1-44H |
| InChI Key | PKQHEBAYOGHIPX-UHFFFAOYSA-N |
| MDL Number | MFCD12022431 |
| Molecular Formula | C65H44N2 |
| Molecular Weight | 853.0583 |
| SMILES | C1=CC=C2C=C(C=CC2=C1)N(C3=CC=C(C=C3)C4(C5=CC=CC=C5C6=CC=CC=C64)C7=CC=C(C=C7)N(C8=CC9=CC=CC=C9C=C8)C1=CC2=CC=CC=C2C=C1)C1=CC2=CC=CC=C2C=C1 |
| Synonyms | 916061-87-5,
9,9-BIS[4-(N,N-BIS-NAPHTHALEN-2-YL-AMINO)PHENYL]-9H-FLUORENE,
SCHEMBL185016,
MFCD12022431,
AKOS027338572,
9,9-Bis[4-[di(2-naphthyl)amino]phenyl]fluorene,
9,9-Bis[4-[bis(2-naphthyl)amino]phenyl]-9H-fluorene,
N-[4-[9-[4-(dinaphthalen-2-ylamino)phenyl]fluoren-9-yl]phenyl]-N-naphthalen-2-ylnaphthalen-2-amine,
B4978,
9,9-Bis[4-[di(naphth-2-yl)amino]phenyl]fluorene,
|
| Complexity | 1400 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 852.35g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 67 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 853.081g/mol |
| Monoisotopic Mass | 852.35g/mol |
| Rotatable Bond Count | 8 |
| Topological Polar Surface Area | 6.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 18.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number