1,3-Di(propan-2-yl)urea,sulfur trioxide
4-[[4-[bis[4-(3-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methylbenzenesulfonic acid
Also Known As: C.I. Pigment Blue 56|PIGMENT BLUE 56|EINECS 229-139-7|1,3-di(propan-2-yl)urea,sulfur trioxide|4-{[4-(bis{4-[(3-methylphenyl)amino]phenyl}methylidene)cyclohexa-2,5-dien-1-ylidene]amino}-2-methylbenzenesulfonic acid|Benzenesulfonic acid, 2-methyl-4-[[4-[[4-[(3-methylphenyl) amino]phenyl][4-[(3-methylphenyl)imino ]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino ]-|2-methyl-4-[[4-[[4-[(3-tolyl)amino]phenyl][4-[(3-tolylimino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]benzenesulphonic acid|4-[[4-[bis[4-(3-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methylbenzenesulfonic acid|Benzenesulfonic acid, 2-methyl-4-((4-((4-((3-methylphenyl)amino)phenyl)(4-((3-methylphenyl)imino)-2,5-cyclohexadien-1-ylidene)methyl)phenyl)amino)-|Benzenesulfonic acid, 2-methyl-4-[[4-[[4-[(3-methylphenyl)amino]phenyl][4-[(3-methylphenyl)imino]-2,5-cyclohexadien-1-ylidene]methyl]phenyl]amino]-
| Molecular Formula | C40H35N3O3S |
|---|---|
| Molecular Weight | 637.2399 g/mol |
| LogP | 10.05 |
| Topological Polar Surface Area | 90.79 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 637.2399 |
| Heavy Atoms | 47 |
| Complexity | 2066.4 |
Chemical Identifiers
| CAS Number | 6417-46-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC2=CC=C(C=C2)C(=C3C=CC(=NC4=CC(=C(C=C4)S(=O)(=O)O)C)C=C3)C5=CC=C(C=C5)NC6=CC=CC(=C6)C |
Product Overview
1,3-Di(propan-2-yl)urea,sulfur trioxide (CAS 6417-46-5), with molecular formula C40H35N3O3S and molecular weight 637.2399 g/mol. IUPAC: 4-[[4-[bis[4-(3-methylanilino)phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]amino]-2-methylbenzenesulfonic acid.
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