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

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

Formula: C40H58S4

SMILES: CCCCCCCCCCCCC1=CC=C(S1)C1=CC=C(S1)C1=CC=C(S1)C1=CC=C(CCCCCCCCCCCC)S1

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

InChI: InChI=1S/C40H58S4/c1-3-5-7-9-11-13-15-17-19-21-23-33-25-27-35(41-33)37-29-31-39(43-37)40-32-30-38(44-40)36-28-26-34(42-36)24-22-20-18-16-14-12-10-8-6-4-2/h25-32H,3-24H2,1-2H3

Composition: C (72.01%), H (8.76%), S (19.22%)

Molar Mass: 667.14

Atom Count: 102

Heavy Atom Count: 44

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 666.342136564
Formal Charge 0
FSP3 0.6
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 0
Hydrogen Bond Donor Count 0
InChIKey OWLUEDGBXMVFNL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 199.77
Topological Polar Surface Area 0
Polarizability 82.03
Ring Count 4
Rotatable Bond Count 25

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