cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene

C215H125F2N63O22S14 — CID 160671208

IUPACcyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
SMILESC1=Cc2nc3ccoc3nc2C1.C1=Nc2cc3nc[nH]c3cc2C1.C1=Nc2nc3c(cc2C1)CC=N3.C1=Nc2nc3c(nc2C1)CC=N3.CC(F)(F)C(=O)c1ccccc1.O=C1C=CC(=O)C1.c1cc2cc3occc3cc2o1.c1cc2nc3ccoc3nc2o1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)c1ccccc1c1[nH]cnc21.c1ccc2c(c1)cnc1ccccc12.c1cnc2c(c1)ccc1cccnc12.c1nc2cc3ncoc3cc2o1.c1nc2cc3ncoc3nc2o1.c1nc2cc3ncsc3cc2s1.c1nc2cc3ncsc3nc2s1.c1nc2cc3ocnc3cc2o1.c1nc2cc3scnc3cc2s1.c1nc2nc3ncoc3cc2o1.c1nc2nc3ncoc3nc2o1.c1nc2nc3ncsc3cc2s1.c1nc2nc3ncsc3nc2s1.c1nc2nc3ocnc3cc2o1.c1nc2nc3ocnc3nc2o1.c1nc2nc3scnc3cc2s1.c1nc2nc3scnc3nc2s1
InChIInChI=1S/C15H10N2.C13H9N.C12H8N2.C10H8N2.C10H6O2.C9H8F2O.2C9H7N3.C9H6N2O.C8H6N4.3C8H4N2O2.2C8H4N2S2.3C7H3N3O2.3C7H3N3S2.2C6H2N4O2.2C6H2N4S2.C5H4O2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-11-9-6-8-2-4-12-10(8)5-7(1)9;1-9(10,11)8(12)7-5-3-2-4-6-7;1-3-10-8-6(1)5-7-2-4-11-9(7)12-8;1-2-10-7-4-9-8(3-6(1)7)11-5-12-9;1-2-6-7(3-1)11-9-8(10-6)4-5-12-9;1-3-9-7-5(1)11-6-2-4-10-8(6)12-7;1-5-8(12-3-9-5)2-6-7(1)11-4-10-6;1-5-7(11-3-9-5)2-8-6(1)10-4-12-8;1-3-11-7-5(1)9-6-2-4-12-8(6)10-7;1-5-8(12-3-9-5)2-6-7(1)11-4-10-6;1-5-7(11-3-9-5)2-8-6(1)10-4-12-8;1-4-7(12-2-8-4)10-6-5(1)11-3-9-6;1-4-6(8-2-11-4)10-7-5(1)12-3-9-7;1-4-6(11-2-8-4)10-7-5(1)9-3-12-7;1-4-7(12-2-8-4)10-6-5(1)11-3-9-6;1-4-6(8-2-11-4)10-7-5(1)12-3-9-7;1-4-6(11-2-8-4)10-7-5(1)9-3-12-7;1-7-3-5(11-1)10-4-6(9-3)12-2-8-4;1-7-3-5(11-1)10-6-4(9-3)8-2-12-6;1-7-3-5(11-1)10-4-6(9-3)12-2-8-4;1-7-3-5(11-1)10-6-4(9-3)8-2-12-6;6-4-1-2-5(7)3-4/h1-9H,(H,16,17);1-9H;1-8H;1-8H;1-6H;2-6H,1H3;3-5H,1-2H2;2-5H,1H2,(H,11,12);1-2,4-5H,3H2;3-4H,1-2H2;5*1-4H;6*1-3H;4*1-2H;1-2H,3H2
InChIKeyRMYJIYXITVLERQ-UHFFFAOYSA-N
MW4429.72 g/mol
LogP51.80
Rot. Bonds3

About cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene

cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene (PubChem CID 160671208) has the molecular formula C215H125F2N63O22S14 and a molecular weight of 4429.72 g/mol. Its IUPAC name is cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene.

Molecular Properties

Compound Namecyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
PubChem CID160671208
Molecular FormulaC215H125F2N63O22S14
Molecular Weight4429.72 g/mol
Exact Mass4425.67
IUPAC Namecyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene
SMILESC1=Cc2nc3ccoc3nc2C1.C1=Nc2cc3nc[nH]c3cc2C1.C1=Nc2nc3c(cc2C1)CC=N3.C1=Nc2nc3c(nc2C1)CC=N3.CC(F)(F)C(=O)c1ccccc1.O=C1C=CC(=O)C1.c1cc2cc3occc3cc2o1.c1cc2nc3ccoc3nc2o1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)c1ccccc1c1[nH]cnc21.c1ccc2c(c1)cnc1ccccc12.c1cnc2c(c1)ccc1cccnc12.c1nc2cc3ncoc3cc2o1.c1nc2cc3ncoc3nc2o1.c1nc2cc3ncsc3cc2s1.c1nc2cc3ncsc3nc2s1.c1nc2cc3ocnc3cc2o1.c1nc2cc3scnc3cc2s1.c1nc2nc3ncoc3cc2o1.c1nc2nc3ncoc3nc2o1.c1nc2nc3ncsc3cc2s1.c1nc2nc3ncsc3nc2s1.c1nc2nc3ocnc3cc2o1.c1nc2nc3ocnc3nc2o1.c1nc2nc3scnc3cc2s1.c1nc2nc3scnc3nc2s1
InChIInChI=1S/C15H10N2.C13H9N.C12H8N2.C10H8N2.C10H6O2.C9H8F2O.2C9H7N3.C9H6N2O.C8H6N4.3C8H4N2O2.2C8H4N2S2.3C7H3N3O2.3C7H3N3S2.2C6H2N4O2.2C6H2N4S2.C5H4O2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-11-9-6-8-2-4-12-10(8)5-7(1)9;1-9(10,11)8(12)7-5-3-2-4-6-7;1-3-10-8-6(1)5-7-2-4-11-9(7)12-8;1-2-10-7-4-9-8(3-6(1)7)11-5-12-9;1-2-6-7(3-1)11-9-8(10-6)4-5-12-9;1-3-9-7-5(1)11-6-2-4-10-8(6)12-7;1-5-8(12-3-9-5)2-6-7(1)11-4-10-6;1-5-7(11-3-9-5)2-8-6(1)10-4-12-8;1-3-11-7-5(1)9-6-2-4-12-8(6)10-7;1-5-8(12-3-9-5)2-6-7(1)11-4-10-6;1-5-7(11-3-9-5)2-8-6(1)10-4-12-8;1-4-7(12-2-8-4)10-6-5(1)11-3-9-6;1-4-6(8-2-11-4)10-7-5(1)12-3-9-7;1-4-6(11-2-8-4)10-7-5(1)9-3-12-7;1-4-7(12-2-8-4)10-6-5(1)11-3-9-6;1-4-6(8-2-11-4)10-7-5(1)12-3-9-7;1-4-6(11-2-8-4)10-7-5(1)9-3-12-7;1-7-3-5(11-1)10-4-6(9-3)12-2-8-4;1-7-3-5(11-1)10-6-4(9-3)8-2-12-6;1-7-3-5(11-1)10-4-6(9-3)12-2-8-4;1-7-3-5(11-1)10-6-4(9-3)8-2-12-6;6-4-1-2-5(7)3-4/h1-9H,(H,16,17);1-9H;1-8H;1-8H;1-6H;2-6H,1H3;3-5H,1-2H2;2-5H,1H2,(H,11,12);1-2,4-5H,3H2;3-4H,1-2H2;5*1-4H;6*1-3H;4*1-2H;1-2H,3H2
InChIKeyRMYJIYXITVLERQ-UHFFFAOYSA-N
XLogP51.80
TPSA1116.09 Ų
H-Bond Donors2
H-Bond Acceptors97
Rotatable Bonds3
Heavy Atoms316
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004429.72
LogP ≤ 551.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1097

Analyze cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The IUPAC name of cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene (CID 160671208) is cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene.
What is the SMILES notation for cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The canonical SMILES for cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene is C1=Cc2nc3ccoc3nc2C1.C1=Nc2cc3nc[nH]c3cc2C1.C1=Nc2nc3c(cc2C1)CC=N3.C1=Nc2nc3c(nc2C1)CC=N3.CC(F)(F)C(=O)c1ccccc1.O=C1C=CC(=O)C1.c1cc2cc3occc3cc2o1.c1cc2nc3ccoc3nc2o1.c1ccc(-c2ccccn2)nc1.c1ccc2c(c1)c1ccccc1c1[nH]cnc21.c1ccc2c(c1)cnc1ccccc12.c1cnc2c(c1)ccc1cccnc12.c1nc2cc3ncoc3cc2o1.c1nc2cc3ncoc3nc2o1.c1nc2cc3ncsc3cc2s1.c1nc2cc3ncsc3nc2s1.c1nc2cc3ocnc3cc2o1.c1nc2cc3scnc3cc2s1.c1nc2nc3ncoc3cc2o1.c1nc2nc3ncoc3nc2o1.c1nc2nc3ncsc3cc2s1.c1nc2nc3ncsc3nc2s1.c1nc2nc3ocnc3cc2o1.c1nc2nc3ocnc3nc2o1.c1nc2nc3scnc3cc2s1.c1nc2nc3scnc3nc2s1.
What is the InChIKey of cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
The InChIKey is RMYJIYXITVLERQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2.C13H9N.C12H8N2.C10H8N2.C10H6O2.C9H8F2O.2C9H7N3.C9H6N2O.C8H6N4.3C8H4N2O2.2C8H4N2S2.3C7H3N3O2.3C7H3N3S2.2C6H2N4O2.2C6H2N4S2.C5H4O2/c1-3-7-12-10(5-1)11-6-2-4-8-13(11)15-14(12)16-9-17-15;1-2-6-11-10(5-1)9-14-13-8-4-3-7-12(11)13;1-3-9-5-6-10-4-2-8-14-12(10)11(9)13-7-1;1-3-7-11-9(5-1)10-6-2-4-8-12-10;1-3-11-9-6-8-2-4-12-10(8)5-7(1)9;1-9(10,11)8(12)7-5-3-2-4-6-7;1-3-10-8-6(1)5-7-2-4-11-9(7)12-8;1-2-10-7-4-9-8(3-6(1)7)11-5-12-9;1-2-6-7(3-1)11-9-8(10-6)4-5-12-9;1-3-9-7-5(1)11-6-2-4-10-8(6)12-7;1-5-8(12-3-9-5)2-6-7(1)11-4-10-6;1-5-7(11-3-9-5)2-8-6(1)10-4-12-8;1-3-11-7-5(1)9-6-2-4-12-8(6)10-7;1-5-8(12-3-9-5)2-6-7(1)11-4-10-6;1-5-7(11-3-9-5)2-8-6(1)10-4-12-8;1-4-7(12-2-8-4)10-6-5(1)11-3-9-6;1-4-6(8-2-11-4)10-7-5(1)12-3-9-7;1-4-6(11-2-8-4)10-7-5(1)9-3-12-7;1-4-7(12-2-8-4)10-6-5(1)11-3-9-6;1-4-6(8-2-11-4)10-7-5(1)12-3-9-7;1-4-6(11-2-8-4)10-7-5(1)9-3-12-7;1-7-3-5(11-1)10-4-6(9-3)12-2-8-4;1-7-3-5(11-1)10-6-4(9-3)8-2-12-6;1-7-3-5(11-1)10-4-6(9-3)12-2-8-4;1-7-3-5(11-1)10-6-4(9-3)8-2-12-6;6-4-1-2-5(7)3-4/h1-9H,(H,16,17);1-9H;1-8H;1-8H;1-6H;2-6H,1H3;3-5H,1-2H2;2-5H,1H2,(H,11,12);1-2,4-5H,3H2;3-4H,1-2H2;5*1-4H;6*1-3H;4*1-2H;1-2H,3H2.
What are the key properties of cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene?
cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene has a molecular weight of 4429.72 g/mol, XLogP of 51.80, 3 rotatable bonds, 2 hydrogen bond donors, and 97 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopent-4-ene-1,3-dione;2,2-difluoro-1-phenylpropan-1-one;1,7-dihydropyrrolo[2,3-f]benzimidazole;4,12-dioxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dioxa-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dioxa-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dioxa-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;4,10-dithia-2,6,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,8,10-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;4,10-dithia-2,6,12-triazatricyclo[7.3.0.03,7]dodeca-1(9),2,5,7,11-pentaene;4,12-dithia-2,6,10-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;6,10-dithia-2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;furo[2,3-f][1]benzofuran;4-oxa-2,8-diazatricyclo[7.3.0.03,7]dodeca-1,3(7),5,8,10-pentaene;[1,3]oxazolo[4,5-f][1,3]benzoxazole;[1,3]oxazolo[5,4-f][1,3]benzoxazole;phenanthridine;1H-phenanthro[9,10-d]imidazole;1,10-phenanthroline;2-pyridin-2-ylpyridine;2,4,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene;[1,3]thiazolo[4,5-f][1,3]benzothiazole;[1,3]thiazolo[5,4-f][1,3]benzothiazole;2,4,12-triazatricyclo[7.3.0.03,7]dodeca-1,3(7),4,8,11-pentaene is sourced from PubChem (CID 160671208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).