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({6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl)({2'-iodo-[1,1'-biphenyl]-4-yl}methyl)dimethylazanium iodide

({6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl)({2'-iodo-[1,1'-biphenyl]-4-yl}methyl)dimethylazanium iodide

CAS: 1414376-85-4

Formula: C25H31I2N

SMILES: [I-].CC1(C)C2CC1C(C[N+](C)(C)CC1=CC=C(C=C1)C1=C(I)C=CC=C1)=CC2

IUPAC: ({6,6-dimethylbicyclo[3.1.1]hept-2-en-2-yl}methyl)({2'-iodo-[1,1'-biphenyl]-4-yl}methyl)dimethylazanium iodide

InChI: InChI=1/C25H31IN.HI/c1-25(2)21-14-13-20(23(25)15-21)17-27(3,4)16-18-9-11-19(12-10-18)22-7-5-6-8-24(22)26;/h5-13,21,23H,14-17H2,1-4H3;1H/q+1;/p-1

Composition: C (50.10%), H (5.21%), I (42.35%), N (2.34%)

Molar Mass: 599.339

Atom Count: 59

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 2
Exact Mass 599.05459
Formal Charge 0
FSP3 0.44
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey UHSBTJDUAWBQGE-UHFFFAOYNA-M
Lipinski's Rule of Five
Molar Refractivity 137.25
Topological Polar Surface Area 0
Polarizability 49.86
Ring Count 4
Rotatable Bond Count 5

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