7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol

C300H249F24N51O10 — CID 163529474

IUPAC7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
SMILESCCOC(=O)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3ncc(C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)n[nH]1.Oc1cc(F)c(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F.c1cc2c(ccc3[nH]c(-c4ccc5nc[nH]c5c4)c4c(c32)CCCC4)n1
InChIInChI=1S/C22H17F3N2O.C22H18N4.4C21H16F3N3O.C21H16F2N2O.2C20H15F2N3O.C20H20N4.2C19H18N4.C18H14F3N5.C18H17N5.C17H17N3O2/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;1-2-4-15-14(3-1)21-16-9-10-23-17(16)7-8-19(21)26-22(15)13-5-6-18-20(11-13)25-12-24-18;22-21(23,24)12-3-6-14-15(9-12)20(11-1-4-13(28)5-2-11)26-18-8-7-17-16(19(14)18)10-25-27-17;22-21(23,24)15-9-11(5-8-18(15)28)20-13-4-2-1-3-12(13)19-14-10-25-27-16(14)6-7-17(19)26-20;2*22-21(23,24)16-9-11(28)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-25-27-17(15)7-8-18(19)26-20;22-21(23)9-7-14-16(11-21)20(12-1-3-13(26)4-2-12)25-18-6-5-17-15(19(14)18)8-10-24-17;21-20(22)8-7-13-14(9-20)19(11-1-3-12(26)4-2-11)24-17-6-5-16-15(18(13)17)10-23-25-16;21-14-8-18(26)15(22)7-12(14)20-11-4-2-1-3-10(11)19-13-9-23-25-16(13)5-6-17(19)24-20;1-11-9-21-16-7-8-17-19(18(11)16)13-5-3-4-6-14(13)20(23-17)15-10-22-24-12(15)2;2*1-11-15(10-21-23-11)19-13-5-3-2-4-12(13)18-14-8-9-20-16(14)6-7-17(18)22-19;19-18(20,21)15-7-14(25-26-15)17-10-4-2-1-3-9(10)16-11-8-22-24-12(11)5-6-13(16)23-17;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18;1-2-22-17(21)16-11-6-4-3-5-10(11)15-12-9-18-20-13(12)7-8-14(15)19-16/h1-2,4-5,7-10,13,27-28H,3,6,11H2;5-12,26H,1-4H2,(H,24,25);1-2,4-5,7-8,10,12,28H,3,6,9H2,(H,25,27);3*5-10,28H,1-4H2,(H,25,27);1-6,8,10,25-26H,7,9,11H2;1-6,10,26H,7-9H2,(H,23,25);5-9,26H,1-4H2,(H,23,25);7-10,23H,3-6H2,1-2H3,(H,22,24);2*6-10,22H,2-5H2,1H3,(H,21,23);5-8H,1-4H2,(H,22,24)(H,25,26);6-9H,2-5H2,1H3,(H,19,22)(H,20,23);7-9H,2-6H2,1H3,(H,18,20)
InChIKeyXQRGPZIEQDMHHN-UHFFFAOYSA-N
MW5184.59 g/mol
LogP71.09
Rot. Bonds16

About 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol

7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol (PubChem CID 163529474) has the molecular formula C300H249F24N51O10 and a molecular weight of 5184.59 g/mol. Its IUPAC name is 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol.

Molecular Properties

Compound Name7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
PubChem CID163529474
Molecular FormulaC300H249F24N51O10
Molecular Weight5184.59 g/mol
Exact Mass5181.02
IUPAC Name7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol
SMILESCCOC(=O)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3ncc(C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)n[nH]1.Oc1cc(F)c(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F.c1cc2c(ccc3[nH]c(-c4ccc5nc[nH]c5c4)c4c(c32)CCCC4)n1
InChIInChI=1S/C22H17F3N2O.C22H18N4.4C21H16F3N3O.C21H16F2N2O.2C20H15F2N3O.C20H20N4.2C19H18N4.C18H14F3N5.C18H17N5.C17H17N3O2/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;1-2-4-15-14(3-1)21-16-9-10-23-17(16)7-8-19(21)26-22(15)13-5-6-18-20(11-13)25-12-24-18;22-21(23,24)12-3-6-14-15(9-12)20(11-1-4-13(28)5-2-11)26-18-8-7-17-16(19(14)18)10-25-27-17;22-21(23,24)15-9-11(5-8-18(15)28)20-13-4-2-1-3-12(13)19-14-10-25-27-16(14)6-7-17(19)26-20;2*22-21(23,24)16-9-11(28)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-25-27-17(15)7-8-18(19)26-20;22-21(23)9-7-14-16(11-21)20(12-1-3-13(26)4-2-12)25-18-6-5-17-15(19(14)18)8-10-24-17;21-20(22)8-7-13-14(9-20)19(11-1-3-12(26)4-2-11)24-17-6-5-16-15(18(13)17)10-23-25-16;21-14-8-18(26)15(22)7-12(14)20-11-4-2-1-3-10(11)19-13-9-23-25-16(13)5-6-17(19)24-20;1-11-9-21-16-7-8-17-19(18(11)16)13-5-3-4-6-14(13)20(23-17)15-10-22-24-12(15)2;2*1-11-15(10-21-23-11)19-13-5-3-2-4-12(13)18-14-8-9-20-16(14)6-7-17(18)22-19;19-18(20,21)15-7-14(25-26-15)17-10-4-2-1-3-9(10)16-11-8-22-24-12(11)5-6-13(16)23-17;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18;1-2-22-17(21)16-11-6-4-3-5-10(11)15-12-9-18-20-13(12)7-8-14(15)19-16/h1-2,4-5,7-10,13,27-28H,3,6,11H2;5-12,26H,1-4H2,(H,24,25);1-2,4-5,7-8,10,12,28H,3,6,9H2,(H,25,27);3*5-10,28H,1-4H2,(H,25,27);1-6,8,10,25-26H,7,9,11H2;1-6,10,26H,7-9H2,(H,23,25);5-9,26H,1-4H2,(H,23,25);7-10,23H,3-6H2,1-2H3,(H,22,24);2*6-10,22H,2-5H2,1H3,(H,21,23);5-8H,1-4H2,(H,22,24)(H,25,26);6-9H,2-5H2,1H3,(H,19,22)(H,20,23);7-9H,2-6H2,1H3,(H,18,20)
InChIKeyXQRGPZIEQDMHHN-UHFFFAOYSA-N
XLogP71.09
TPSA906.43 Ų
H-Bond Donors29
H-Bond Acceptors40
Rotatable Bonds16
Heavy Atoms385
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005184.59
LogP ≤ 571.09
H-Bond Donors ≤ 529
H-Bond Acceptors ≤ 1040

Analyze 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
The IUPAC name of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol (CID 163529474) is 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol.
What is the SMILES notation for 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
The canonical SMILES for 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol is CCOC(=O)c1nc2ccc3[nH]ncc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3ncc(C)c3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Cc1[nH]ncc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.FC(F)(F)c1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)n[nH]1.Oc1cc(F)c(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1F.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(C(F)(F)F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC(F)(F)CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(C(F)(F)F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F.c1cc2c(ccc3[nH]c(-c4ccc5nc[nH]c5c4)c4c(c32)CCCC4)n1.
What is the InChIKey of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
The InChIKey is XQRGPZIEQDMHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3N2O.C22H18N4.4C21H16F3N3O.C21H16F2N2O.2C20H15F2N3O.C20H20N4.2C19H18N4.C18H14F3N5.C18H17N5.C17H17N3O2/c23-22(24,25)13-3-6-15-17(11-13)21(12-1-4-14(28)5-2-12)27-19-8-7-18-16(20(15)19)9-10-26-18;1-2-4-15-14(3-1)21-16-9-10-23-17(16)7-8-19(21)26-22(15)13-5-6-18-20(11-13)25-12-24-18;22-21(23,24)12-3-6-14-15(9-12)20(11-1-4-13(28)5-2-11)26-18-8-7-17-16(19(14)18)10-25-27-17;22-21(23,24)15-9-11(5-8-18(15)28)20-13-4-2-1-3-12(13)19-14-10-25-27-16(14)6-7-17(19)26-20;2*22-21(23,24)16-9-11(28)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-25-27-17(15)7-8-18(19)26-20;22-21(23)9-7-14-16(11-21)20(12-1-3-13(26)4-2-12)25-18-6-5-17-15(19(14)18)8-10-24-17;21-20(22)8-7-13-14(9-20)19(11-1-3-12(26)4-2-11)24-17-6-5-16-15(18(13)17)10-23-25-16;21-14-8-18(26)15(22)7-12(14)20-11-4-2-1-3-10(11)19-13-9-23-25-16(13)5-6-17(19)24-20;1-11-9-21-16-7-8-17-19(18(11)16)13-5-3-4-6-14(13)20(23-17)15-10-22-24-12(15)2;2*1-11-15(10-21-23-11)19-13-5-3-2-4-12(13)18-14-8-9-20-16(14)6-7-17(18)22-19;19-18(20,21)15-7-14(25-26-15)17-10-4-2-1-3-9(10)16-11-8-22-24-12(11)5-6-13(16)23-17;1-10-13(8-19-22-10)18-12-5-3-2-4-11(12)17-14-9-20-23-15(14)6-7-16(17)21-18;1-2-22-17(21)16-11-6-4-3-5-10(11)15-12-9-18-20-13(12)7-8-14(15)19-16/h1-2,4-5,7-10,13,27-28H,3,6,11H2;5-12,26H,1-4H2,(H,24,25);1-2,4-5,7-8,10,12,28H,3,6,9H2,(H,25,27);3*5-10,28H,1-4H2,(H,25,27);1-6,8,10,25-26H,7,9,11H2;1-6,10,26H,7-9H2,(H,23,25);5-9,26H,1-4H2,(H,23,25);7-10,23H,3-6H2,1-2H3,(H,22,24);2*6-10,22H,2-5H2,1H3,(H,21,23);5-8H,1-4H2,(H,22,24)(H,25,26);6-9H,2-5H2,1H3,(H,19,22)(H,20,23);7-9H,2-6H2,1H3,(H,18,20).
What are the key properties of 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol?
7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol has a molecular weight of 5184.59 g/mol, XLogP of 71.09, 16 rotatable bonds, 29 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(3H-benzimidazol-5-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;2,5-difluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-3,8,10,11-tetrahydropyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9,9-difluoro-6,8,10,11-tetrahydropyrrolo[3,2-a]phenanthridin-7-yl)phenol;ethyl 8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine-7-carboxylate;1-methyl-7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;bis(7-(5-methyl-1H-pyrazol-4-yl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine);4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;bis(4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-3-(trifluoromethyl)phenol);7-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl]phenol;4-[9-(trifluoromethyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl]phenol is sourced from PubChem (CID 163529474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).