2,2'-Di(4-hexyloxyphenyl)-5,5'-azopyrimidine

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Basic information

Standard SMILES: CCCCCCOc1ccc(-c2ncc(N=Nc3cnc(-c4ccc(OCCCCCC)cc4)nc3)cn2)cc1
InChIKey: NVKCRPKKJGPKEK-UHFFFAOYSA-N
Molecular formula: C32H38N6O2
Average molar mass: 538.7 g/mol
Monoisotopic mass: 538.30562448

Names & identifiers

Preferred name: 2,2'-Di(4-hexyloxyphenyl)-5,5'-azopyrimidine
IUPAC: bis[2-(4-hexoxyphenyl)pyrimidin-5-yl]diazene

Names & synonyms

2,2'-Di(4-hexyloxyphenyl)-5,5'-azopyrimidineNVKCRPKKJGPKEK-HEFFKOSUSA-NDTXSID6013564002,2'-DI(4-HEXYLOXYPHENYL)-5,5'-DIAZODIPYRIMIDINE2-[4-(Hexyloxy)phenyl]-5-((E)-(2-[4-(hexyloxy)phenyl]-5-pyrimidinyl)diazenyl)pyrimidine #

Database identifiers

PubChem CID: 635872
DTXSID: DTXSID601356400
Nikkaji: J183.730C

Properties

Computed structural properties

XLogP: 8.2
Topological polar surface area: 94.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 40
Formal charge: 0
Complexity: 608

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Compound notes

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