| CAS Number | 1630723-98-6 |
| Catalog Number | AG00IMLA(AGN-PC-0WQUPP) |
| Chemical Name | N,N,N',N'-Tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine |
| IUPAC Name | 3-N,3-N,6-N,6-N-tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine |
| InChI | InChI=1S/C40H35N3O4/c1-44-33-15-5-27(6-16-33)42(28-7-17-34(45-2)18-8-28)31-13-23-39-37(25-31)38-26-32(14-24-40(38)41-39)43(29-9-19-35(46-3)20-10-29)30-11-21-36(47-4)22-12-30/h5-26,41H,1-4H3 |
| InChI Key | RPIHBLGJOPSTMS-UHFFFAOYSA-N |
| MDL Number | MFCD31618161 |
| Molecular Formula | C40H35N3O4 |
| Molecular Weight | 621.7236 |
| SMILES | COC1=CC=C(N(C6=CC=C(OC)C=C6)C2=CC3=C(NC4=C3C=C(N(C7=CC=C(OC)C=C7)C5=CC=C(OC)C=C5)C=C4)C=C2)C=C1 |
| Synonyms | N,N,N',N'-Tetrakis(4-methoxyphenyl)-9H-carbazole-3,6-diamine,
1630723-98-6,
SCHEMBL17414863,
3,6-Bis[N,N-bis(4-methoxyphenyl)amino]-9H-carbazole,
T3642,
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| Complexity | 816 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 621.263g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 47 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 621.737g/mol |
| Monoisotopic Mass | 621.263g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 59.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 9.7 |
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Certificate of Analysis
Lot Number