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4,4',4'',4'''-(Benzene-1,4-diyldimethanetriyl)tetrakis(n,n-dimethylaniline)

HCID 239131
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
6310-66-3
Standard SMILES
CN(C)c1ccc(C(c2ccc(C(c3ccc(N(C)C)cc3)c3ccc(N(C)C)cc3)cc2)c2ccc(N(C)C)cc2)cc1
InChIKey
CAHLAZSEWAMHLJ-UHFFFAOYSA-N
Molecular formula
C40H46N4
Average molar mass
582.8 g/mol
Monoisotopic mass
582.37224748

Names & identifiers

Preferred name
4,4',4'',4'''-(Benzene-1,4-diyldimethanetriyl)tetrakis(n,n-dimethylaniline)
IUPAC
4-[[4-[bis[4-(dimethylamino)phenyl]methyl]phenyl]-[4-(dimethylamino)phenyl]methyl]-N,N-dimethylaniline

Names & synonyms

6310-66-3NSC439354,4',4'',4'''-(benzene-1,4-diyldimethanetriyl)tetrakis(n,n-dimethylaniline)SCHEMBL9626237DTXSID10286151NSC-439354,4',4'',4'''-(1,4-Phenylenedimethanetriyl)tetrakis(N,N-dimethylaniline)

Database identifiers

CAS
6310-66-3
PubChem CID
239131
DTXSID
DTXSID10286151

Properties

Computed structural properties

XLogP
9.2
Topological polar surface area
13 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
10
Heavy atoms
44
Formal charge
0
Complexity
675

Related reactions

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Compound notes

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