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Chemical ID: 5784870
Chemical ID:
5784870
Name [?]:
2,4,7-triphenyl-1,5,9-triazabicyclo[4.3.0]nona-2,4,6,8-tetraene
SMILES [?]:
c1ccc(cc1)c2cc(n3c(n2)c(cn3)c4ccccc4)c5ccccc5
InChi [?]:
InChI=1/C24H17N3/c1-4-10-18(11-5-1)21-17-25-27-23(20-14-8-3-9-15-20)16-22(26-24(21)27)19-12-6-2-7-13-19/h1-17H
InChi Info:
AuxInfo=1/0/N:19,1,25,18,20,2,6,24,26,17,21,3,5,23,27,8,14,16,4,22,13,7,9,11,15,12,10/E:(4,5)(6,7)(8,9)(10,11)(12,13)(14,15)/rA:27nCCCCCCCCCNCNCCNCCCCCCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s10;d7s11;d11;s13;s10d14;s13;s16;d17;s18;d19;d16s20;s9;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C24H17N3 |
All Atoms: | 27 |
Heavy Atoms: | 27 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 11.7956 |
Area: | 563.008 |
Solvation: | -2.27965 |
Coulombic: | -15.6436 |
Bond Count [?]
All: | 31 |
Single: | 18 |
Double: | 13 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 347.412 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 5.98 |
LogP (Chemaxon): | 6.14 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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