N2,N2,5-tris(4-hexylphenyl)pyrimidine-2,4,6-triamine

Systemtic Name: N2,N2,5-tris(4-hexylphenyl)pyrimidine-2,4,6-triamine Openeye Name: N2,N2,5-tris(4-hexylphenyl)pyrimidine-2,4,6-triamine CAS Name: N2,N2,5-tris(4-hexylphenyl)pyrimidine-2,4,6-triamine IUPAC Name: 2-N,2-N,5-tris(4-hexylphenyl)pyrimidine-2,4,6-triamine Traditional Name: [4,6-diamino-5-(4-hexylphenyl)pyrimidin-2-yl]-bis(4-hexylphenyl)amine Formula: C40H55N5 MolecularWeight: 605.8982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N(C3=CC=C(C=C3)CCCCCC)C4=CC=C(C=C4)CCCCCC)N

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=C(N=C(N=C2N)N(C3=CC=C(C=C3)CCCCCC)C4=CC=C(C=C4)CCCCCC)N

InChI

InChI=1S/C40H55N5/c1-4-7-10-13-16-31-19-25-34(26-20-31)37-38(41)43-40(44-39(37)42)45(35-27-21-32(22-28-35)17-14-11-8-5-2)36-29-23-33(24-30-36)18-15-12-9-6-3/h19-30H,4-18H2,1-3H3,(H4,41,42,43,44)