3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one

C88H57I2N9O2 — CID 159656462

About 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one

3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one (PubChem CID 159656462) has the molecular formula C88H57I2N9O2 and a molecular weight of 1526.29 g/mol. Its IUPAC name is 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one.

Molecular Properties

• Compound Name: 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
• PubChem CID: 159656462
• Molecular Formula: C88H57I2N9O2
• Molecular Weight: 1526.29 g/mol
• Exact Mass: 1525.27
• IUPAC Name: 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one
• SMILES: Cc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Ic1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.O=c1[nH]c2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1
• InChI: InChI=1S/C24H15N3O.C22H16N2.C21H13IN2O.C21H13IN2/c28-24-19(13-14-7-1-6-12-20(14)25-24)23-26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)27-23;1-14-8-2-3-9-15(14)22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-22;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12;22-14-7-5-6-13(12-14)21-23-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)24-21/h1-13H,(H,25,28)(H,26,27);2-13H,1H3,(H,23,24);1-11,25H,(H,23,24);1-12H,(H,23,24)
• InChIKey: MSFYGDIKDQUSDY-UHFFFAOYSA-N
• XLogP: 23.21
• TPSA: 167.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 101
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1526.29
LogP ≤ 5	23.21
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

The IUPAC name of 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one (CID 159656462) is 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one.

What is the SMILES notation for 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

The canonical SMILES for 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one is Cc1ccccc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Ic1cccc(-c2nc3c4ccccc4c4ccccc4c3[nH]2)c1.O=c1[nH]c2ccccc2cc1-c1nc2c3ccccc3c3ccccc3c2[nH]1.Oc1cccc(-c2nc3c4cc(I)ccc4c4ccccc4c3[nH]2)c1.

What is the InChIKey of 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

The InChIKey is MSFYGDIKDQUSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H15N3O.C22H16N2.C21H13IN2O.C21H13IN2/c28-24-19(13-14-7-1-6-12-20(14)25-24)23-26-21-17-10-4-2-8-15(17)16-9-3-5-11-18(16)22(21)27-23;1-14-8-2-3-9-15(14)22-23-20-18-12-6-4-10-16(18)17-11-5-7-13-19(17)21(20)24-22;22-13-8-9-16-15-6-1-2-7-17(15)19-20(18(16)11-13)24-21(23-19)12-4-3-5-14(25)10-12;22-14-7-5-6-13(12-14)21-23-19-17-10-3-1-8-15(17)16-9-2-4-11-18(16)20(19)24-21/h1-13H,(H,25,28)(H,26,27);2-13H,1H3,(H,23,24);1-11,25H,(H,23,24);1-12H,(H,23,24).

What are the key properties of 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one?

3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one has a molecular weight of 1526.29 g/mol, XLogP of 23.21, 4 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(5-iodo-1H-phenanthro[9,10-d]imidazol-2-yl)phenol;2-(3-iodophenyl)-1H-phenanthro[9,10-d]imidazole;2-(2-methylphenyl)-1H-phenanthro[9,10-d]imidazole;3-(1H-phenanthro[9,10-d]imidazol-2-yl)-1H-quinolin-2-one is sourced from PubChem (CID 159656462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).