Chemical ID: 5784870

c1ccc(cc1)c2cc(n3c(n2)c(cn3)c4ccccc4)c5ccccc5
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

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Descriptor Annotations

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