3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol

C124H102F4N18O7 — CID 157284919

About 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol

3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol (PubChem CID 157284919) has the molecular formula C124H102F4N18O7 and a molecular weight of 2032.29 g/mol. Its IUPAC name is 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol.

Molecular Properties

• Compound Name: 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol
• PubChem CID: 157284919
• Molecular Formula: C124H102F4N18O7
• Molecular Weight: 2032.29 g/mol
• Exact Mass: 2030.81
• IUPAC Name: 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol
• SMILES: CC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.COc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1O.N#CC1CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F
• InChI: InChI=1S/C22H17N3O.C21H16F3N3O.C21H19N3O2.C21H19N3O.C20H16FN3O.C19H15N3O/c23-12-13-1-6-16-18(11-13)22(14-2-4-15(26)5-3-14)25-20-8-7-19-17(21(16)20)9-10-24-19;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;1-26-19-10-12(6-9-18(19)25)21-14-5-3-2-4-13(14)20-15-11-22-24-16(15)7-8-17(20)23-21;1-12-2-7-15-16(10-12)21(13-3-5-14(25)6-4-13)23-19-9-8-18-17(20(15)19)11-22-24-18;21-16-9-11(25)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-22-24-17(15)7-8-18(19)23-20;23-12-6-4-11(5-7-12)19-14-3-1-2-13(14)18-15-10-20-22-16(15)8-9-17(18)21-19/h2-5,7-10,13,25-26H,1,6,11H2;5-10,28H,1-4H2,(H,25,27);6-11,25H,2-5H2,1H3,(H,22,24);3-6,8-9,11-12,25H,2,7,10H2,1H3,(H,22,24);5-10,25H,1-4H2,(H,22,24);4-10,23H,1-3H2,(H,20,22)
• InChIKey: GDJRGNWDSBDOMZ-UHFFFAOYSA-N
• XLogP: 27.55
• TPSA: 390.93 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 153
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2032.29
LogP ≤ 5	27.55
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol?

The IUPAC name of 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol (CID 157284919) is 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol.

What is the SMILES notation for 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol?

The canonical SMILES for 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol is CC1CCc2c(c(-c3ccc(O)cc3)nc3ccc4[nH]ncc4c23)C1.COc1cc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)ccc1O.N#CC1CCc2c(c(-c3ccc(O)cc3)[nH]c3ccc4nccc4c23)C1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCC3)cc1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(F)c1.Oc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1C(F)(F)F.

What is the InChIKey of 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol?

The InChIKey is GDJRGNWDSBDOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O.C21H16F3N3O.C21H19N3O2.C21H19N3O.C20H16FN3O.C19H15N3O/c23-12-13-1-6-16-18(11-13)22(14-2-4-15(26)5-3-14)25-20-8-7-19-17(21(16)20)9-10-24-19;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;1-26-19-10-12(6-9-18(19)25)21-14-5-3-2-4-13(14)20-15-11-22-24-16(15)7-8-17(20)23-21;1-12-2-7-15-16(10-12)21(13-3-5-14(25)6-4-13)23-19-9-8-18-17(20(15)19)11-22-24-18;21-16-9-11(25)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-22-24-17(15)7-8-18(19)23-20;23-12-6-4-11(5-7-12)19-14-3-1-2-13(14)18-15-10-20-22-16(15)8-9-17(18)21-19/h2-5,7-10,13,25-26H,1,6,11H2;5-10,28H,1-4H2,(H,25,27);6-11,25H,2-5H2,1H3,(H,22,24);3-6,8-9,11-12,25H,2,7,10H2,1H3,(H,22,24);5-10,25H,1-4H2,(H,22,24);4-10,23H,1-3H2,(H,20,22).

What are the key properties of 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol?

3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol has a molecular weight of 2032.29 g/mol, XLogP of 27.55, 7 rotatable bonds, 12 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-fluoro-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine-9-carbonitrile;2-methoxy-4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(9-methyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenol;4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)-2-(trifluoromethyl)phenol;4-(4,5,10-triazatetracyclo[7.7.0.02,6.012,16]hexadeca-1(9),2(6),3,7,10,12(16)-hexaen-11-yl)phenol is sourced from PubChem (CID 157284919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).