About 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol
7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol (PubChem CID 163828067) has the molecular formula C127H120N22O5
and a molecular weight of 2034.51 g/mol. Its IUPAC name is 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol.
Frequently Asked Questions
What is the IUPAC name of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?
The IUPAC name of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol (CID 163828067) is 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol.
What is the SMILES notation for 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?
The canonical SMILES for 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol is C.C.C.C.C.C.C1=NCc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc21.O=C1Cc2ccc(-c3nc4ccc5[nH]ncc5c4c4c3CCCC4)cc2N1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCO3)cc1.Oc1ccc(-c2nc3ccc4cn[nH]c4c3c3c2CCCC3)cc1.c1cc2cn[nH]c2cc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.
What is the InChIKey of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?
The InChIKey is OBGZITCSCZVFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O.C22H18N4.C21H17N5.C20H17N3O.C18H13N3O2.C18H13N3O.6CH4/c27-20-10-12-5-6-13(9-19(12)24-20)22-15-4-2-1-3-14(15)21-16-11-23-26-17(16)7-8-18(21)25-22;1-2-4-17-16(3-1)21-18-12-24-26-19(18)7-8-20(21)25-22(17)13-5-6-14-10-23-11-15(14)9-13;1-2-4-15-14(3-1)20-16-11-23-25-17(16)7-8-18(20)24-21(15)12-5-6-13-10-22-26-19(13)9-12;24-14-8-5-12(6-9-14)19-16-4-2-1-3-15(16)18-17(22-19)10-7-13-11-21-23-20(13)18;22-11-3-1-10(2-4-11)17-12-7-8-23-18(12)16-13-9-19-21-14(13)5-6-15(16)20-17;22-11-3-1-10(2-4-11)18-13-6-5-12(13)17-14-9-19-21-15(14)7-8-16(17)20-18;;;;;;/h5-9,11H,1-4,10H2,(H,23,26)(H,24,27);5-9,11-12H,1-4,10H2,(H,24,26);5-11H,1-4H2,(H,22,26)(H,23,25);5-11,24H,1-4H2,(H,21,23);1-6,9,22H,7-8H2,(H,19,21);1-4,7-9,22H,5-6H2,(H,19,21);6*1H4.
What are the key properties of 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol?
7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol has a molecular weight of 2034.51 g/mol, XLogP of 28.45, 6 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-indazol-6-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(1H-isoindol-5-yl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;methane;4-(3-oxa-8,13,14-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),7,10,12(16),14-hexaen-7-yl)phenol;6-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-1,3-dihydroindol-2-one;4-(8,9,10,11-tetrahydro-1H-pyrazolo[5,4-a]phenanthridin-7-yl)phenol;4-(4,5,10-triazatetracyclo[7.6.0.02,6.012,15]pentadeca-1(9),2(6),3,7,10,12(15)-hexaen-11-yl)phenol is sourced from PubChem (CID 163828067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).