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Chemical ID: 5644838
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
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
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