Chemical ID: 5644838

CCCCc1ccc(cc1)Nc2ccc3c4c2C(=O)c5ccccc5-c4cc(=O)n3c6ccc(cc6)CCCC
Chemical ID:
5644838
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)Nc2ccc3c4c2C(=O)c5ccccc5-c4cc(=O)n3c6ccc(cc6)CCCC
InChi [?]:
InChI=1/C36H34N2O2/c1-3-5-9-24-13-17-26(18-14-24)37-31-21-22-32-34-30(28-11-7-8-12-29(28)36(40)35(31)34)23-33(39)38(32)27-19-15-25(16-20-27)10-6-4-2/h7-8,11-23,37H,3-6,9-10H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,40,2,39,3,38,23,22,4,37,24,21,6,10,33,35,7,9,32,36,13,14,27,5,34,8,31,25,20,26,12,15,28,16,17,18,11,30,29,19/E:(13,14)(15,16)(17,18)(19,20)/rA:40nCCCCCCCCCCNCCCCCCCOCCCCCCCCCONCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;s12;d13;s14;d15;d12s16;s17;d18;s18;s20;d21;s22;d23;d20s24;s16s25;d26;s27;d28;s15s28;s30;s31;d32;s33;d34;d31s35;s34;s37;s38;s39;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C36H34N2O2
All Atoms:40
Heavy Atoms:40
Chiral Atoms:0
ZAP Information [?]
Total:16.4887
Area:795.02
Solvation:-3.38684
Coulombic:-39.8168
Bond Count [?]
All:45
Single:30
Double:15
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:526.667
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:9.63
LogP (Chemaxon):9.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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