Chemical ID: 7616760

C[n+]1c(sc2c1c3ccccc3cc2)C=C(C=C4N(c5c6ccccc6ccc5S4)C)c7ccccc7
Chemical ID:
7616760
Name [?]:
None
SMILES [?]:
C[n+]1c(sc2c1c3ccccc3cc2)C=C(C=C4N(c5c6ccccc6ccc5S4)C)c7ccccc7
InChi [?]:
InChI=1/C33H25N2S2/c1-34-30(36-28-18-16-23-12-6-8-14-26(23)32(28)34)20-25(22-10-4-3-5-11-22)21-31-35(2)33-27-15-9-7-13-24(27)17-19-29(33)37-31/h3-21H,1-2H3/q+1
InChi Info:
AuxInfo=1/0/N:1,31,35,34,36,10,24,9,23,33,37,11,25,8,22,13,27,14,28,15,17,32,12,26,16,7,21,5,29,3,18,6,20,2,19,4,30/E:(1,2)(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)(16,17)(18,19)(20,21)(23,24)(26,27)(28,29)(30,31)(32,33)(34,35)(36,37)/CRV:34+1/rA:37nCN+CSCCCCCCCCCCCCCCNCCCCCCCCCCSCCCCCCC/rB:s1;d2;s3;s4;s2s5;d6;s7;d8;s9;d10;s7s11;d12;d5s13;s3;w15;s16;w17;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;d20s28;s18s29;s19;s16;s32;d33;s34;d35;d32s36;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C33H25N2S2+
All Atoms:62
Heavy Atoms:37
Chiral Atoms:None
ZAP Information [?]
Total:-10.0574
Area:703.095
Solvation:-27.6348
Coulombic:5.66007
Bond Count [?]
All:43
Single:27
Double:16
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:9.85
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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