7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

C101H83BrF2N14O — CID 159163111

About 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (PubChem CID 159163111) has the molecular formula C101H83BrF2N14O and a molecular weight of 1626.77 g/mol. Its IUPAC name is 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

Molecular Properties

• Compound Name: 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
• PubChem CID: 159163111
• Molecular Formula: C101H83BrF2N14O
• Molecular Weight: 1626.77 g/mol
• Exact Mass: 1624.60
• IUPAC Name: 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
• SMILES: Brc1ccccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c(F)c1.c1cncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.c1cncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1
• InChI: InChI=1S/C21H17BrN2.C21H17FN2O.C20H16FN3.C20H17N3.C19H16N4/c22-17-8-4-3-7-15(17)21-14-6-2-1-5-13(14)20-16-11-12-23-18(16)9-10-19(20)24-21;22-17-11-12(25)5-6-15(17)21-14-4-2-1-3-13(14)20-16-9-10-23-18(16)7-8-19(20)24-21;21-18-8-5-12(11-23-18)20-14-4-2-1-3-13(14)19-15-9-10-22-16(15)6-7-17(19)24-20;1-2-6-15-14(5-1)19-16-9-11-22-17(16)7-8-18(19)23-20(15)13-4-3-10-21-12-13;1-2-6-14-13(5-1)18-15-11-21-23-16(15)7-8-17(18)22-19(14)12-4-3-9-20-10-12/h3-4,7-12,24H,1-2,5-6H2;5-11,24-25H,1-4H2;5-11,24H,1-4H2;3-4,7-12,23H,1-2,5-6H2;3-4,7-11H,1-2,5-6H2,(H,21,23)
• InChIKey: WJZIJLUWMAPIRD-UHFFFAOYSA-N
• XLogP: 24.64
• TPSA: 215.19 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1626.77
LogP ≤ 5	24.64
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The IUPAC name of 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (CID 159163111) is 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

What is the SMILES notation for 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The canonical SMILES for 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is Brc1ccccc1-c1[nH]c2ccc3nccc3c2c2c1CCCC2.Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cn1.Oc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c(F)c1.c1cncc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)c1.c1cncc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)c1.

What is the InChIKey of 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The InChIKey is WJZIJLUWMAPIRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17BrN2.C21H17FN2O.C20H16FN3.C20H17N3.C19H16N4/c22-17-8-4-3-7-15(17)21-14-6-2-1-5-13(14)20-16-11-12-23-18(16)9-10-19(20)24-21;22-17-11-12(25)5-6-15(17)21-14-4-2-1-3-13(14)20-16-9-10-23-18(16)7-8-19(20)24-21;21-18-8-5-12(11-23-18)20-14-4-2-1-3-13(14)19-15-9-10-22-16(15)6-7-17(19)24-20;1-2-6-15-14(5-1)19-16-9-11-22-17(16)7-8-18(19)23-20(15)13-4-3-10-21-12-13;1-2-6-14-13(5-1)18-15-11-21-23-16(15)7-8-17(18)22-19(14)12-4-3-9-20-10-12/h3-4,7-12,24H,1-2,5-6H2;5-11,24-25H,1-4H2;5-11,24H,1-4H2;3-4,7-12,23H,1-2,5-6H2;3-4,7-11H,1-2,5-6H2,(H,21,23).

What are the key properties of 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine has a molecular weight of 1626.77 g/mol, XLogP of 24.64, 5 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-bromophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;7-(6-fluoro-3-pyridinyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;3-fluoro-4-(8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-7-yl)phenol;7-pyridin-3-yl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-pyridin-3-yl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is sourced from PubChem (CID 159163111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).