7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

C104H86F2N12O3 — CID 163563463

About 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine

7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (PubChem CID 163563463) has the molecular formula C104H86F2N12O3 and a molecular weight of 1589.91 g/mol. Its IUPAC name is 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

Molecular Properties

• Compound Name: 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
• PubChem CID: 163563463
• Molecular Formula: C104H86F2N12O3
• Molecular Weight: 1589.91 g/mol
• Exact Mass: 1588.69
• IUPAC Name: 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine
• SMILES: Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.O=COc1cc2c(ccc3[nH]c(-c4ccc(O)cc4)c4c(c32)CCCC4)n1.c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1
• InChI: InChI=1S/C22H18N2O3.C21H17FN2.C21H18N2.C20H16FN3.C20H17N3/c25-12-27-20-11-17-18(23-20)9-10-19-21(17)15-3-1-2-4-16(15)22(24-19)13-5-7-14(26)8-6-13;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;1-2-6-14(7-3-1)21-16-9-5-4-8-15(16)20-17-12-13-22-18(17)10-11-19(20)23-21;21-13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-22-24-17(16)9-10-18(19)23-20;1-2-6-13(7-3-1)20-15-9-5-4-8-14(15)19-16-12-21-23-17(16)10-11-18(19)22-20/h5-12,24,26H,1-4H2;5-12,24H,1-4H2;1-3,6-7,10-13,23H,4-5,8-9H2;5-11H,1-4H2,(H,22,24);1-3,6-7,10-12H,4-5,8-9H2,(H,21,23)
• InChIKey: RQEMGHVFKGYQKH-UHFFFAOYSA-N
• XLogP: 24.62
• TPSA: 215.71 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1589.91
LogP ≤ 5	24.62
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The IUPAC name of 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine (CID 163563463) is 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine.

What is the SMILES notation for 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The canonical SMILES for 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is Fc1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Fc1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.O=COc1cc2c(ccc3[nH]c(-c4ccc(O)cc4)c4c(c32)CCCC4)n1.c1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.c1ccc(-c2nc3ccc4[nH]ncc4c3c3c2CCCC3)cc1.

What is the InChIKey of 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

The InChIKey is RQEMGHVFKGYQKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3.C21H17FN2.C21H18N2.C20H16FN3.C20H17N3/c25-12-27-20-11-17-18(23-20)9-10-19-21(17)15-3-1-2-4-16(15)22(24-19)13-5-7-14(26)8-6-13;22-14-7-5-13(6-8-14)21-16-4-2-1-3-15(16)20-17-11-12-23-18(17)9-10-19(20)24-21;1-2-6-14(7-3-1)21-16-9-5-4-8-15(16)20-17-12-13-22-18(17)10-11-19(20)23-21;21-13-7-5-12(6-8-13)20-15-4-2-1-3-14(15)19-16-11-22-24-17(16)9-10-18(19)23-20;1-2-6-13(7-3-1)20-15-9-5-4-8-14(15)19-16-12-21-23-17(16)10-11-18(19)22-20/h5-12,24,26H,1-4H2;5-12,24H,1-4H2;1-3,6-7,10-13,23H,4-5,8-9H2;5-11H,1-4H2,(H,22,24);1-3,6-7,10-12H,4-5,8-9H2,(H,21,23).

What are the key properties of 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine?

7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine has a molecular weight of 1589.91 g/mol, XLogP of 24.62, 7 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4-fluorophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-fluorophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-phenyl-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-phenyl-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine is sourced from PubChem (CID 163563463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).