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4'-undecyl-[1,1'-biphenyl]-4-carbonitrile

4'-undecyl-[1,1'-biphenyl]-4-carbonitrile

Formula: C24H31N

SMILES: CCCCCCCCCCCC1=CC=C(C=C1)C1=CC=C(C=C1)C#N

IUPAC: 4'-undecyl-[1,1'-biphenyl]-4-carbonitrile

InChI: InChI=1S/C24H31N/c1-2-3-4-5-6-7-8-9-10-11-21-12-16-23(17-13-21)24-18-14-22(20-25)15-19-24/h12-19H,2-11H2,1H3

Composition: C (86.43%), H (9.37%), N (4.20%)

Molar Mass: 333.519

Atom Count: 56

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 333.245650002
Formal Charge 0
FSP3 0.46
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey YIJBPYUXIFSTAP-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 107.97
Topological Polar Surface Area 23.79
Polarizability 43.49
Ring Count 2
Rotatable Bond Count 11

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