Chemical ID: 5838506

c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)c4[nH]c5cc6ccccc6cc5n4
Chemical ID:
5838506
Name [?]:
None
SMILES [?]:
c1ccc(cc1)C(c2ccccc2)C(=O)Nc3ccc(cc3)c4[nH]c5cc6ccccc6cc5n4
InChi [?]:
InChI=1/C31H23N3O/c35-31(29(21-9-3-1-4-10-21)22-11-5-2-6-12-22)32-26-17-15-23(16-18-26)30-33-27-19-24-13-7-8-14-25(24)20-28(27)34-30/h1-20,29H,(H,32,35)(H,33,34)
InChi Info:
AuxInfo=1/1/N:1,11,2,6,10,12,29,30,3,5,9,13,28,31,19,21,18,22,26,33,4,8,20,27,32,17,25,34,7,23,14,16,24,35,15/E:(1,2)(3,4,5,6)(7,8)(9,10,11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(24,25)(27,28)(33,34)/rA:35nCCCCCCCCCCCCCCONCCCCCCCNCCCCCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;d11;d8s12;s7;d14;s14;s16;s17;d18;s19;d20;d17s21;s20;s23;s24;s25;d26;s27;d28;s29;d30;s27s31;d32;d25s33;d23s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C31H23N3O
All Atoms:35
Heavy Atoms:35
Chiral Atoms:0
ZAP Information [?]
Total:13.9979
Area:697.067
Solvation:-3.42872
Coulombic:-42.6174
Bond Count [?]
All:40
Single:24
Double:16
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:453.534
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:6.99
LogP (Chemaxon):7.79

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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