Chemical ID: 4950676

CC[n+]1c(ccc2c1cccc2)C=C3C=CN(c4c3cccc4)CC
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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