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4,4'-bis({2-[4-(hexyloxy)phenyl]ethenyl})-2,2'-bipyridine

4,4'-bis({2-[4-(hexyloxy)phenyl]ethenyl})-2,2'-bipyridine

Formula: C38H44N2O2

SMILES: CCCCCCOC1=CC=C(C=CC2=CC(=NC=C2)C2=NC=CC(C=CC3=CC=C(OCCCCCC)C=C3)=C2)C=C1

IUPAC: 4,4'-bis({2-[4-(hexyloxy)phenyl]ethenyl})-2,2'-bipyridine

InChI: InChI=1S/C38H44N2O2/c1-3-5-7-9-27-41-35-19-15-31(16-20-35)11-13-33-23-25-39-37(29-33)38-30-34(24-26-40-38)14-12-32-17-21-36(22-18-32)42-28-10-8-6-4-2/h11-26,29-30H,3-10,27-28H2,1-2H3

Composition: C (81.39%), H (7.91%), N (5.00%), O (5.71%)

Molar Mass: 560.782

Atom Count: 86

Heavy Atom Count: 42

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 560.340278665
Formal Charge 0
FSP3 0.32
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey NPYGILQVQLESKX-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 176.12
Topological Polar Surface Area 44.24
Polarizability 69.16
Ring Count 4
Rotatable Bond Count 17

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