Chemical ID: 6760582

c1ccc(cc1)c2ccc(cc2)c3c(n4c([nH+]3)nc(c(n4)c5ccccc5)c6ccccc6)c7ccccc7
Chemical ID:
6760582
Name [?]:
3,4,9-triphenyl-8-(4-phenylphenyl)-1,2,5-triaza-7-azoniabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccc(cc1)c2ccc(cc2)c3c(n4c([nH+]3)nc(c(n4)c5ccccc5)c6ccccc6)c7ccccc7
InChi [?]:
InChI=1/C35H24N4/c1-5-13-25(14-6-1)26-21-23-29(24-22-26)33-34(30-19-11-4-12-20-30)39-35(37-33)36-31(27-15-7-2-8-16-27)32(38-39)28-17-9-3-10-18-28/h1-24H/p+1
InChi Info:
AuxInfo=1/1/N:1,31,25,37,2,6,30,32,24,26,36,38,3,5,29,33,23,27,35,39,8,12,9,11,4,7,28,22,10,34,19,20,13,14,16,18,17,21,15/E:(5,6)(7,8)(9,10)(11,12)(13,14)(15,16)(17,18)(19,20)(21,22)(23,24)/rA:39nCCCCCCCCCCCCCCNCN+NCCNCCCCCCCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;d10;d7s11;s10;d13;s14;s15;s13d16;s16;d18;s19;s15d20;s20;s22;d23;s24;d25;d22s26;s19;s28;d29;s30;d31;d28s32;s14;s34;d35;s36;d37;d34s38;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C35H25N4+
All Atoms:64
Heavy Atoms:39
Chiral Atoms:0
ZAP Information [?]
Total:-13.0047
Area:737.155
Solvation:-31.4336
Coulombic:-16.924
Bond Count [?]
All:45
Single:26
Double:19
Rotors:5
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:501.6
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:9.77
LogP (Chemaxon):9.42

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue