Methylidynetriphenylene triisocyanate structure

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

CAS: 3107-18-4
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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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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