| CAS Number | 1801701-58-5 |
| Catalog Number | AG00IMLE(AGN-PC-0WQUPS) |
| Chemical Name | V886 |
| IUPAC Name | 9-[[2-[[3,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)carbazol-9-yl]methyl]phenyl]methyl]-3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)carbazole-3,6-diamine |
| InChI | InChI=1S/C88H76N6O8/c1-95-73-33-13-61(14-34-73)91(62-15-35-74(96-2)36-16-62)69-29-49-85-81(53-69)82-54-70(92(63-17-37-75(97-3)38-18-63)64-19-39-76(98-4)40-20-64)30-50-86(82)89(85)57-59-11-9-10-12-60(59)58-90-87-51-31-71(93(65-21-41-77(99-5)42-22-65)66-23-43-78(100-6)44-24-66)55-83(87)84-56-72(32-52-88(84)90)94(67-25-45-79(101-7)46-26-67)68-27-47-80(102-8)48-28-68/h9-56H,57-58H2,1-8H3 |
| InChI Key | UJFCAZNSGCEREK-UHFFFAOYSA-N |
| MDL Number | MFCD30749315 |
| Molecular Formula | C88H76N6O8 |
| Molecular Weight | 1345.5804 |
| SMILES | COC1=CC=C(N(C2=CC=C(OC)C=C2)C3=CC=C(N(CC4=CC=CC=C4CN5C6=C(C=C(N(C7=CC=C(OC)C=C7)C8=CC=C(OC)C=C8)C=C6)C9=C5C=CC(N(C%10=CC=C(OC)C=C%10)C%11=CC=C(OC)C=C%11)=C9)C%12=C%13C=C(N(C%14=CC=C(OC)C=C%14)C%15=CC=C(OC)C=C%15)C=C%12)C%13=C3)C=C1 |
| Synonyms | 9,9'-[1,2-Phenylenebis(methylene)]bis[N3,N3,N6,N6-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine],
SCHEMBL18083987,
V886,
1801701-58-5,
9,9'-(1,2-Phenylenebismethylene)bis[N,N,N',N'-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine],
V0146,
|
| Complexity | 2040 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 1344.572g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 102 |
| Hydrogen Bond Acceptor Count | 12 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 1345.61g/mol |
| Monoisotopic Mass | 1344.572g/mol |
| Rotatable Bond Count | 24 |
| Topological Polar Surface Area | 96.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 20.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number