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

C118H99I2N15O3 — CID 158803717

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

[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (PubChem CID 158803717) has the molecular formula C118H99I2N15O3 and a molecular weight of 2029.00 g/mol. Its IUPAC name is [7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

Molecular Properties

• Compound Name: [7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
• PubChem CID: 158803717
• Molecular Formula: C118H99I2N15O3
• Molecular Weight: 2029.00 g/mol
• Exact Mass: 2027.61
• IUPAC Name: [7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine
• SMILES: Ic1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Ic1ccc(-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.c1nc2ccc3[nH]ncc3c2c2c1CCCC2
• InChI: InChI=1S/C22H18N2O3.C21H17IN2.C21H18N2.C20H16IN3.C20H17N3.C14H13N3/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;1-2-4-10-9(3-1)7-15-13-6-5-12-11(14(10)13)8-16-17-12/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);5-8H,1-4H2,(H,16,17)
• InChIKey: CXESUPOTPYVZSN-UHFFFAOYSA-N
• XLogP: 28.54
• TPSA: 257.28 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 12
• Rotatable Bonds: 7
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2029.00
LogP ≤ 5	28.54
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of [7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine (CID 158803717) is [7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine.

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

The canonical SMILES for [7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is Ic1ccc(-c2[nH]c3ccc4nccc4c3c3c2CCCC3)cc1.Ic1ccc(-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.c1nc2ccc3[nH]ncc3c2c2c1CCCC2.

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

The InChIKey is CXESUPOTPYVZSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3.C21H17IN2.C21H18N2.C20H16IN3.C20H17N3.C14H13N3/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;1-2-4-10-9(3-1)7-15-13-6-5-12-11(14(10)13)8-16-17-12/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);5-8H,1-4H2,(H,16,17).

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

[7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine has a molecular weight of 2029.00 g/mol, XLogP of 28.54, 7 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for [7-(4-hydroxyphenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridin-2-yl] formate;7-(4-iodophenyl)-8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine;7-(4-iodophenyl)-8,9,10,11-tetrahydro-6H-pyrrolo[3,2-a]phenanthridine;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;8,9,10,11-tetrahydro-3H-pyrazolo[4,5-a]phenanthridine is sourced from PubChem (CID 158803717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).