[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

C320H192N64O16S16 — CID 165051401

IUPAC[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)oc1ccncc12.c1cc2c(cn1)oc1cnccc12.c1cc2c(cn1)sc1ccncc12.c1cc2c(cn1)sc1cnccc12.c1cc2oc3ccncc3c2cn1.c1cc2sc3ccncc3c2cn1.c1ccc2c(c1)oc1ccnnc12.c1ccc2c(c1)oc1cncnc12.c1ccc2c(c1)oc1cnncc12.c1ccc2c(c1)oc1nccnc12.c1ccc2c(c1)oc1ncncc12.c1ccc2c(c1)oc1nnccc12.c1ccc2c(c1)sc1ccnnc12.c1ccc2c(c1)sc1cncnc12.c1ccc2c(c1)sc1cnncc12.c1ccc2c(c1)sc1nccnc12.c1ccc2c(c1)sc1ncncc12.c1ccc2c(c1)sc1nnccc12.c1cnc2c(c1)oc1cccnc12.c1cnc2c(c1)oc1ccncc12.c1cnc2c(c1)oc1cnccc12.c1cnc2c(c1)oc1ncccc12.c1cnc2c(c1)sc1cccnc12.c1cnc2c(c1)sc1ccncc12.c1cnc2c(c1)sc1cnccc12.c1cnc2c(c1)sc1ncccc12.c1cnc2oc3ccncc3c2c1.c1cnc2oc3cnccc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ccncc3c2c1.c1cnc2sc3cnccc3c2c1.c1cnc2sc3ncccc3c2c1
InChIInChI=1S/16C10H6N2O.16C10H6N2S/c1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-9-7(3-1)8-5-6-11-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-8-7(3-1)10-9(13-8)5-6-11-12-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-9-7(3-1)8-5-6-11-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-8-7(3-1)10-9(13-8)5-6-11-12-10/h32*1-6H
InChIKeyPSIUUGCXRJYETN-UHFFFAOYSA-N
MW5702.56 g/mol
LogP83.53
Rot. Bonds

About [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene

[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (PubChem CID 165051401) has the molecular formula C320H192N64O16S16 and a molecular weight of 5702.56 g/mol. Its IUPAC name is [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.

Molecular Properties

Compound Name[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
PubChem CID165051401
Molecular FormulaC320H192N64O16S16
Molecular Weight5702.56 g/mol
Exact Mass5697.17
IUPAC Name[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
SMILESc1cc2c(cn1)oc1ccncc12.c1cc2c(cn1)oc1cnccc12.c1cc2c(cn1)sc1ccncc12.c1cc2c(cn1)sc1cnccc12.c1cc2oc3ccncc3c2cn1.c1cc2sc3ccncc3c2cn1.c1ccc2c(c1)oc1ccnnc12.c1ccc2c(c1)oc1cncnc12.c1ccc2c(c1)oc1cnncc12.c1ccc2c(c1)oc1nccnc12.c1ccc2c(c1)oc1ncncc12.c1ccc2c(c1)oc1nnccc12.c1ccc2c(c1)sc1ccnnc12.c1ccc2c(c1)sc1cncnc12.c1ccc2c(c1)sc1cnncc12.c1ccc2c(c1)sc1nccnc12.c1ccc2c(c1)sc1ncncc12.c1ccc2c(c1)sc1nnccc12.c1cnc2c(c1)oc1cccnc12.c1cnc2c(c1)oc1ccncc12.c1cnc2c(c1)oc1cnccc12.c1cnc2c(c1)oc1ncccc12.c1cnc2c(c1)sc1cccnc12.c1cnc2c(c1)sc1ccncc12.c1cnc2c(c1)sc1cnccc12.c1cnc2c(c1)sc1ncccc12.c1cnc2oc3ccncc3c2c1.c1cnc2oc3cnccc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ccncc3c2c1.c1cnc2sc3cnccc3c2c1.c1cnc2sc3ncccc3c2c1
InChIInChI=1S/16C10H6N2O.16C10H6N2S/c1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-9-7(3-1)8-5-6-11-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-8-7(3-1)10-9(13-8)5-6-11-12-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-9-7(3-1)8-5-6-11-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-8-7(3-1)10-9(13-8)5-6-11-12-10/h32*1-6H
InChIKeyPSIUUGCXRJYETN-UHFFFAOYSA-N
XLogP83.53
TPSA1035.20 Ų
H-Bond Donors
H-Bond Acceptors96
Rotatable Bonds
Heavy Atoms416
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5005702.56
LogP ≤ 583.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1096

Analyze [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene with MolForge

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What is the IUPAC name of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The IUPAC name of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene (CID 165051401) is [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene.
What is the SMILES notation for [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The canonical SMILES for [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is c1cc2c(cn1)oc1ccncc12.c1cc2c(cn1)oc1cnccc12.c1cc2c(cn1)sc1ccncc12.c1cc2c(cn1)sc1cnccc12.c1cc2oc3ccncc3c2cn1.c1cc2sc3ccncc3c2cn1.c1ccc2c(c1)oc1ccnnc12.c1ccc2c(c1)oc1cncnc12.c1ccc2c(c1)oc1cnncc12.c1ccc2c(c1)oc1nccnc12.c1ccc2c(c1)oc1ncncc12.c1ccc2c(c1)oc1nnccc12.c1ccc2c(c1)sc1ccnnc12.c1ccc2c(c1)sc1cncnc12.c1ccc2c(c1)sc1cnncc12.c1ccc2c(c1)sc1nccnc12.c1ccc2c(c1)sc1ncncc12.c1ccc2c(c1)sc1nnccc12.c1cnc2c(c1)oc1cccnc12.c1cnc2c(c1)oc1ccncc12.c1cnc2c(c1)oc1cnccc12.c1cnc2c(c1)oc1ncccc12.c1cnc2c(c1)sc1cccnc12.c1cnc2c(c1)sc1ccncc12.c1cnc2c(c1)sc1cnccc12.c1cnc2c(c1)sc1ncccc12.c1cnc2oc3ccncc3c2c1.c1cnc2oc3cnccc3c2c1.c1cnc2oc3ncccc3c2c1.c1cnc2sc3ccncc3c2c1.c1cnc2sc3cnccc3c2c1.c1cnc2sc3ncccc3c2c1.
What is the InChIKey of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
The InChIKey is PSIUUGCXRJYETN-UHFFFAOYSA-N. The full InChI is InChI=1S/16C10H6N2O.16C10H6N2S/c1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-9-7(3-1)8-5-6-11-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-8-7(3-1)10-9(13-8)5-6-11-12-10;1-3-11-5-7-8-6-12-4-2-10(8)13-9(1)7;1-3-12-6-10-7(1)8-5-11-4-2-9(8)13-10;1-3-11-5-9-7(1)8-2-4-12-6-10(8)13-9;1-3-7-9-8(4-2-5-11-9)13-10(7)12-6-1;1-3-7-9(11-5-1)10-8(13-7)4-2-6-12-10;1-3-7-8-4-2-6-12-10(8)13-9(7)11-5-1;1-2-9-10(12-4-1)7-6-11-5-3-8(7)13-9;1-2-8-10(12-4-1)7-3-5-11-6-9(7)13-8;1-2-8-7-3-5-11-6-9(7)13-10(8)12-4-1;1-2-7-8-6-11-5-3-9(8)13-10(7)12-4-1;1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9;1-2-4-9-7(3-1)8-5-11-12-6-10(8)13-9;1-2-4-8-7(3-1)10-9(13-8)5-11-6-12-10;1-2-4-9-7(3-1)8-5-6-11-12-10(8)13-9;1-2-4-8-7(3-1)9-10(13-8)12-6-5-11-9;1-2-4-8-7(3-1)10-9(13-8)5-6-11-12-10/h32*1-6H.
What are the key properties of [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene?
[1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene has a molecular weight of 5702.56 g/mol, XLogP of 83.53, 0 rotatable bonds, 0 hydrogen bond donors, and 96 hydrogen bond acceptors.
Where does this data come from?
All data for [1]benzofuro[2,3-b]pyrazine;[1]benzofuro[2,3-c]pyridazine;[1]benzofuro[3,2-c]pyridazine;[1]benzofuro[2,3-d]pyridazine;[1]benzofuro[2,3-d]pyrimidine;[1]benzofuro[3,2-d]pyrimidine;[1]benzothiolo[2,3-b]pyrazine;[1]benzothiolo[2,3-c]pyridazine;[1]benzothiolo[3,2-c]pyridazine;[1]benzothiolo[2,3-d]pyridazine;[1]benzothiolo[2,3-d]pyrimidine;[1]benzothiolo[3,2-d]pyrimidine;8-oxa-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-oxa-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-3,13-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-4,12-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-5,11-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene;8-thia-6,10-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene is sourced from PubChem (CID 165051401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).