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Chemical ID: 4110615
Chemical ID:
4110615
Name [?]:
N,N'-bis(2,6-diisopropylphenyl)ethane-1,2-diimine
SMILES [?]:
CC(C)c1cccc(c1N=CC=Nc2c(cccc2C(C)C)C(C)C)C(C)C
InChi [?]:
InChI=1/C26H36N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)27-15-16-28-26-23(19(5)6)13-10-14-24(26)20(7)8/h9-20H,1-8H3
InChi Info:
AuxInfo=1/0/N:1,3,27,28,21,22,24,25,6,17,5,7,18,16,11,12,2,26,20,23,4,8,19,15,9,14,10,13/E:(1,2,3,4,5,6,7,8)(9,10)(11,12,13,14)(15,16)(17,18,19,20)(21,22,23,24)(25,26)(27,28)/rA:28nCCCCCCCCCNCCNCCCCCCCCCCCCCCC/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s9;w10;s11;w12;s13;s14;d15;s16;d17;d14s18;s19;s20;s20;s15;s23;s23;s8;s26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C26H36N2 |
All Atoms: | 28 |
Heavy Atoms: | 28 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 13.1362 |
Area: | 582.657 |
Solvation: | -1.43019 |
Coulombic: | -15.7351 |
Bond Count [?]
All: | 29 |
Single: | 21 |
Double: | 8 |
Rotors: | 7 |
Chiral: | 2 |
Rigid Segments: | 8 |
Chemical Properties
Molecular Weight: | 376.578 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 7.57 |
LogP (Chemaxon): | 9.48 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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