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1-{1'-butanoyl-2,2,2',2',4,4'-hexamethyl-3H-[4,7'-biquinolin]-1-yl}butan-1-one

1-{1'-butanoyl-2,2,2',2',4,4'-hexamethyl-3H-[4,7'-biquinolin]-1-yl}butan-1-one

Formula: C32H42N2O2

SMILES: CCCC(=O)N1C2=CC=CC=C2C(C)(CC1(C)C)C1=CC=C2C(C)=CC(C)(C)N(C(=O)CCC)C2=C1

IUPAC: 1-{1'-butanoyl-2,2,2',2',4,4'-hexamethyl-3,4-dihydro-1H,1'H,2H,2'H-[4,7'-biquinolin]-1-yl}butan-1-one

InChI: InChI=1/C32H42N2O2/c1-9-13-28(35)33-26-16-12-11-15-25(26)32(8,21-31(33,6)7)23-17-18-24-22(3)20-30(4,5)34(27(24)19-23)29(36)14-10-2/h11-12,15-20H,9-10,13-14,21H2,1-8H3

Composition: C (78.97%), H (8.70%), N (5.76%), O (6.57%)

Molar Mass: 486.7

Atom Count: 78

Heavy Atom Count: 36

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 1
Exact Mass 486.3246286
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ADTCAAGHJPFIMI-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity 159.26
Topological Polar Surface Area 40.62
Polarizability 57.47
Ring Count 4
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C32H42N2O2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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