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Chemical ID: 4950676
Chemical ID:
4950676
Name [?]:
1-ethyl-2-[(1-ethyl-4-quinolylidene)methyl]quinoline
SMILES [?]:
CC[n+]1c(ccc2c1cccc2)C=C3C=CN(c4c3cccc4)CC
InChi [?]:
InChI=1/C23H23N2/c1-3-24-16-15-19(21-10-6-8-12-23(21)24)17-20-14-13-18-9-5-7-11-22(18)25(20)4-2/h5-17H,3-4H2,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:25,1,24,2,11,21,10,22,12,20,9,23,6,5,15,16,13,7,14,4,19,8,18,17,3/CRV:25+1/rA:25nCCN+CCCCCCCCCCCCCNCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s8;d9;s10;s7d11;s4;w13;s14;d15;s16;s17;s14s18;d19;s20;d21;d18s22;s17;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C23H23N2+ |
All Atoms: | 25 |
Heavy Atoms: | 25 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -11.3079 |
Area: | 529.596 |
Solvation: | -24.5478 |
Coulombic: | 7.19066 |
Bond Count [?]
All: | 28 |
Single: | 18 |
Double: | 10 |
Rotors: | 3 |
Chiral: | 1 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 327.442 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 5.45 |
LogP (Chemaxon): | 1.12 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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