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5-decyl-5'-{5'-decyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene

5-decyl-5'-{5'-decyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene

Formula: C36H50S4

SMILES: CCCCCCCCCCC1=CC=C(S1)C1=CC=C(S1)C1=CC=C(S1)C1=CC=C(CCCCCCCCCC)S1

IUPAC: 5-decyl-5'-{5'-decyl-[2,2'-bithiophen]-5-yl}-2,2'-bithiophene

InChI: InChI=1S/C36H50S4/c1-3-5-7-9-11-13-15-17-19-29-21-23-31(37-29)33-25-27-35(39-33)36-28-26-34(40-36)32-24-22-30(38-32)20-18-16-14-12-10-8-6-4-2/h21-28H,3-20H2,1-2H3

Composition: C (70.76%), H (8.25%), S (20.99%)

Molar Mass: 611.04

Atom Count: 90

Heavy Atom Count: 40

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 610.279536306
Formal Charge 0
FSP3 0.56
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey IYCHXHNXTBDCNT-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 181.37
Topological Polar Surface Area 0
Polarizability 74.65
Ring Count 4
Rotatable Bond Count 21

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