[4-{4-[Bis(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-ylidene]propanedinitrile

Base Information

• Chemical Name: [4-{4-[Bis(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-ylidene]propanedinitrile
• CAS No.: 113762-28-0
• Molecular Formula: C35H31N5O
• Molecular Weight: 537.65400
• DSSTox Substance ID: DTXSID60702831
• Nikkaji Number: J153.963I
• Wikidata: Q82634838
• Mol file: 113762-28-0.mol

Synonyms:113762-28-0;DTXSID60702831;NARHKIJDPPQASV-UHFFFAOYSA-N;[4-{4-[Bis(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-ylidene]propanedinitrile;2-[1-Allyl-4-[4-[N,N-bis(3-phenylpropyl)amino]phenyl]-3-cyano-5-oxo-1,5-dihydro-2H-pyrrol-2-ylidene]malononitrile

Chemical Property of [4-{4-[Bis(3-phenylpropyl)amino]phenyl}-3-cyano-5-oxo-1-(prop-2-en-1-yl)-1,5-dihydro-2H-pyrrol-2-ylidene]propanedinitrile

Chemical Property:

• PSA: 94.92000
• LogP: 6.30314
• XLogP3: 6.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 12
• Exact Mass: 537.25286063
• Heavy Atom Count: 41
• Complexity: 1090

Purity/Quality:

Safty Information:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCN1C(=C(C#N)C#N)C(=C(C1=O)C2=CC=C(C=C2)N(CCCC3=CC=CC=C3)CCCC4=CC=CC=C4)C#N

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