4,4'-di-tert-butyl-6-(4-tert-butylpyridin-2-yl)-2,2'-bipyridine

4,4'-di-tert-butyl-6-(4-tert-butylpyridin-2-yl)-2,2'-bipyridine

CAS: 115091-29-7

Formula: C27H35N3

SMILES: CC(C)(C)C1=CC(=NC=C1)C1=CC(=CC(=N1)C1=NC=CC(=C1)C(C)(C)C)C(C)(C)C

IUPAC: 4,4'-di-tert-butyl-6-(4-tert-butylpyridin-2-yl)-2,2'-bipyridine

InChI: InChI=1S/C27H35N3/c1-25(2,3)18-10-12-28-21(14-18)23-16-20(27(7,8)9)17-24(30-23)22-15-19(11-13-29-22)26(4,5)6/h10-17H,1-9H3

Composition: C (80.75%), H (8.78%), N (10.46%)

Molar Mass: 401.598

Atom Count: 65

Heavy Atom Count: 30

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	401.283098139
Formal Charge	0
FSP3	0.44
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QMABMHJGSFUTPF-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	124.37
Topological Polar Surface Area	38.67
Polarizability	51.62
Ring Count	3
Rotatable Bond Count	5

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