Chemical ID: 7677755

CCn1cc(cn1)c2nc3c4c(ncn3n2)OC5=C(C4c6ccccc6)CCCC5=Cc7ccccc7
Chemical ID:
7677755
Name [?]:
None
SMILES [?]:
CCn1cc(cn1)c2nc3c4c(ncn3n2)OC5=C(C4c6ccccc6)CCCC5=Cc7ccccc7
InChi [?]:
InChI=1/C30H26N6O/c1-2-35-18-23(17-32-35)28-33-29-26-25(21-12-7-4-8-13-21)24-15-9-14-22(16-20-10-5-3-6-11-20)27(24)37-30(26)31-19-36(29)34-28/h3-8,10-13,16-19,25H,2,9,14-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,35,24,34,36,23,25,28,33,37,22,26,29,27,31,6,4,14,32,21,30,5,19,20,11,18,8,10,12,13,7,9,16,3,15,17/E:(5,6)(7,8)(10,11)(12,13)/rA:37cCCNCCCNCNCCCNCNNOCCCCCCCCCCCCCCCCCCCC/rB:s1;s2;s3;d4;s5;s3d6;s5;s8;d9;s10;d11;s12;d13;s10s14;d8s15;s12;s17;d18;s11s19;s20;s21;d22;s23;d24;d21s25;s19;s27;s28;s18s29;w30;s31;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H26N6O
All Atoms:63
Heavy Atoms:37
Chiral Atoms:None
ZAP Information [?]
Total:12.7044
Area:657.644
Solvation:-3.73665
Coulombic:-31.4843
Bond Count [?]
All:43
Single:29
Double:14
Rotors:4
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.97
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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