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6,6'-dibromo-1,1'-dioctyl-[3,3'-biindolylidene]-2,2'-dione

6,6'-dibromo-1,1'-dioctyl-[3,3'-biindolylidene]-2,2'-dione

Formula: C32H40Br2N2O2

SMILES: CCCCCCCCN1C(=O)C(C2=C1C=C(Br)C=C2)=C1C(=O)N(CCCCCCCC)C2=C1C=CC(Br)=C2

IUPAC: 6,6'-dibromo-1,1'-dioctyl-1H,1'H,2H,2'H-[3,3'-biindolylidene]-2,2'-dione

InChI: InChI=1S/C32H40Br2N2O2/c1-3-5-7-9-11-13-19-35-27-21-23(33)15-17-25(27)29(31(35)37)30-26-18-16-24(34)22-28(26)36(32(30)38)20-14-12-10-8-6-4-2/h15-18,21-22H,3-14,19-20H2,1-2H3

Composition: C (59.64%), H (6.26%), Br (24.80%), N (4.35%), O (4.96%)

Molar Mass: 644.492

Atom Count: 78

Heavy Atom Count: 38

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 642.145655
Formal Charge 0
FSP3 0.5
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey MLSKVFFBSGZTFD-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 163.98
Topological Polar Surface Area 40.62
Polarizability 62.84
Ring Count 4
Rotatable Bond Count 14

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