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1,2,6-Triphenyl-4-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-2,5-cyclohexadiene-1-carbonitrile

1,2,6-Triphenyl-4-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-2,5-cyclohexadiene-1-carbonitrile structure

CAS No:
87031-31-0
Formula:
C31H23N3O3
Chemical Name:
1,2,6-Triphenyl-4-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-2,5-cyclohexadiene-1-carbonitrile
Synonyms:
2,5-Cyclohexadiene-1-carbonitrile,1,2,6-triphenyl-4-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-;1,2,6-Triphenyl-4-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-2,5-cyclohexadiene-1-carbonitrile;NSC 380738

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1,2,6-Triphenyl-4-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-2,5-cyclohexadiene-1-carbonitrile Basic Attributes

Molecular Weight：

485.5 g/mol

Exact Mass：

485.53

NSC Number：

380738

DSSTox ID：

DTXSID40321746

Characteristics

PSA：

81.5 Å²

Melting Point：

191 °C @ Solvent: Methanol

Computed Properties

Molecular Weight:485.5
XLogP3:4.2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:485.17394160
Monoisotopic Mass:485.17394160
Topological Polar Surface Area:81.5
Heavy Atom Count:37
Complexity:1040
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,2,6-Triphenyl-4-(tetrahydro-1,3-dimethyl-2,4,6-trioxo-5(2H)-pyrimidinylidene)-2,5-cyclohexadiene-1-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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