7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine

C108H89Br2ClF2N14O — CID 157443203

About 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine

7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine (PubChem CID 157443203) has the molecular formula C108H89Br2ClF2N14O and a molecular weight of 1832.25 g/mol. Its IUPAC name is 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine.

Molecular Properties

• Compound Name: 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine
• PubChem CID: 157443203
• Molecular Formula: C108H89Br2ClF2N14O
• Molecular Weight: 1832.25 g/mol
• Exact Mass: 1828.54
• IUPAC Name: 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine
• SMILES: C#Cc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Clc1ccc(-c2cc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c(Br)c1.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(Br)c1.c1cc(N2CCOCC2)ccc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2
• InChI: InChI=1S/C24H24N4O.C22H17N3.C21H16BrFN2.C21H17ClN2.C20H15BrFN3/c1-2-4-19-18(3-1)23-20-15-25-27-21(20)9-10-22(23)26-24(19)16-5-7-17(8-6-16)28-11-13-29-14-12-28;1-2-14-7-9-15(10-8-14)22-17-6-4-3-5-16(17)21-18-13-23-25-19(18)11-12-20(21)24-22;22-17-11-12(23)5-6-15(17)21-14-4-2-1-3-13(14)20-16-9-10-24-18(16)7-8-19(20)25-21;22-15-8-5-13(6-9-15)18-11-14-7-10-20-19(12-23-24-20)21(14)17-4-2-1-3-16(17)18;21-16-9-11(22)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-23-25-17(15)7-8-18(19)24-20/h5-10,15H,1-4,11-14H2,(H,25,27);1,7-13H,3-6H2,(H,23,25);5-11,25H,1-4H2;5-12H,1-4H2,(H,23,24);5-10H,1-4H2,(H,23,25)
• InChIKey: UQODCVCEFRAZKX-UHFFFAOYSA-N
• XLogP: 26.77
• TPSA: 194.54 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1832.25
LogP ≤ 5	26.77
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine?

The IUPAC name of 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine (CID 157443203) is 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine.

What is the SMILES notation for 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine?

The canonical SMILES for 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine is C#Cc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Clc1ccc(-c2cc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c(Br)c1.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c(Br)c1.c1cc(N2CCOCC2)ccc1-c1nc2ccc3[nH]ncc3c2c2c1CCCC2.

What is the InChIKey of 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine?

The InChIKey is UQODCVCEFRAZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O.C22H17N3.C21H16BrFN2.C21H17ClN2.C20H15BrFN3/c1-2-4-19-18(3-1)23-20-15-25-27-21(20)9-10-22(23)26-24(19)16-5-7-17(8-6-16)28-11-13-29-14-12-28;1-2-14-7-9-15(10-8-14)22-17-6-4-3-5-16(17)21-18-13-23-25-19(18)11-12-20(21)24-22;22-17-11-12(23)5-6-15(17)21-14-4-2-1-3-13(14)20-16-9-10-24-18(16)7-8-19(20)25-21;22-15-8-5-13(6-9-15)18-11-14-7-10-20-19(12-23-24-20)21(14)17-4-2-1-3-16(17)18;21-16-9-11(22)5-6-14(16)20-13-4-2-1-3-12(13)19-15-10-23-25-17(15)7-8-18(19)24-20/h5-10,15H,1-4,11-14H2,(H,25,27);1,7-13H,3-6H2,(H,23,25);5-11,25H,1-4H2;5-12H,1-4H2,(H,23,24);5-10H,1-4H2,(H,23,25).

What are the key properties of 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine?

7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine has a molecular weight of 1832.25 g/mol, XLogP of 26.77, 6 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(2-bromo-4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(4-chlorophenyl)-8,9,10,11-tetrahydro-3H-naphtho[1,2-e]indazole;7-(4-ethynylphenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;4-[4-(8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridin-7-yl)phenyl]morpholine is sourced from PubChem (CID 157443203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).