Methylidynetriphenylene triisocyanate
5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanatocyclohexa-1,3-diene
Also Known As: Triphenylmethane triisocyanate|Methylidynetriphenylene triisocyanate|5,5',5''-methanetriyltris(5-isocyanatocyclohexa-1,3-diene)|Benzene, 1,1',1''-methylidynetris(isocyanato-|Isocyanic acid, methylidynetriphenylene ester|Benzene, 1,1',1''-methylidynetris[isocyanato-|5-[bis(1-isocyanato-1-cyclohexa-2,4-dienyl)methyl]-5-isocyanato-cyclohexa-1,3-diene|5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanato-cyclohexa-1,3-diene|5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanatocyclohexa-1,3-diene
| Molecular Formula | C22H19N3O3 |
|---|---|
| Molecular Weight | 373.14264 g/mol |
| LogP | 7.3 |
| Topological Polar Surface Area | 88.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 373.14264 |
| Monoisotopic Mass | 373.14264 |
| Heavy Atoms | 28 |
| Complexity | 830.0 |
Chemical Identifiers
| CAS Number | 3107-18-4 |
|---|---|
| SMILES | C1C=CC=CC1(C(C2(CC=CC=C2)N=C=O)C3(CC=CC=C3)N=C=O)N=C=O |
| InChIKey | ZZQYSMIHCIHECW-UHFFFAOYSA-N |
Product Overview
Methylidynetriphenylene triisocyanate (CAS 3107-18-4), with molecular formula C22H19N3O3 and molecular weight 373.14264 g/mol. IUPAC: 5-[bis(1-isocyanatocyclohexa-2,4-dien-1-yl)methyl]-5-isocyanatocyclohexa-1,3-diene.
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