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2,7-di-tert-butylpyrene

2,7-di-tert-butylpyrene

CAS: 24300-91-2

Formula: C24H26

SMILES: CC(C)(C)C1=CC2=C3C(C=CC4=C3C(C=C2)=CC(=C4)C(C)(C)C)=C1

IUPAC: 2,7-di-tert-butylpyrene

InChI: InChI=1S/C24H26/c1-23(2,3)19-11-15-7-9-17-13-20(24(4,5)6)14-18-10-8-16(12-19)21(15)22(17)18/h7-14H,1-6H3

Composition: C (91.67%), H (8.33%)

Molar Mass: 314.472

Atom Count: 50

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 314.2034508372
Formal Charge 0
FSP3 0.33
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey SKZSSCAGJZEXEA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 104.05
Topological Polar Surface Area 0
Polarizability 44.51
Ring Count 4
Rotatable Bond Count 2

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