fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

C72H52F6Ir4N4O2-4 — CID 160985118

About fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine

fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (PubChem CID 160985118) has the molecular formula C72H52F6Ir4N4O2-4 and a molecular weight of 1888.09 g/mol. Its IUPAC name is fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

Molecular Properties

• Compound Name: fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
• PubChem CID: 160985118
• Molecular Formula: C72H52F6Ir4N4O2-4
• Molecular Weight: 1888.09 g/mol
• Exact Mass: 1890.25
• IUPAC Name: fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine
• SMILES: COc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.FC(F)F.Oc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir]
• InChI: InChI=1S/C18H11F3N.C18H14NO.C18H14N.C17H12NO.CHF3.4Ir/c19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-20-18-10-6-5-9-16(18)15-11-12-17(19-13-15)14-7-3-2-4-8-14;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;19-17-9-5-4-8-15(17)14-10-11-16(18-12-14)13-6-2-1-3-7-13;2-1(3)4;;;;/h1-6,8-12H;2-7,9-13H,1H3;2-8,10-13H,1H3;1-6,8-12,19H;1H;;;;/q4*-1
• InChIKey: GDBUMBRCBLEWKZ-UHFFFAOYSA-N
• XLogP: 19.07
• TPSA: 81.02 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1888.09
LogP ≤ 5	19.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The IUPAC name of fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine (CID 160985118) is fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine.

What is the SMILES notation for fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The canonical SMILES for fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is COc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.Cc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.FC(F)(F)c1ccccc1-c1ccnc(-c2[c-]cccc2)c1.FC(F)F.Oc1ccccc1-c1ccc(-c2[c-]cccc2)nc1.[Ir].[Ir].[Ir].[Ir].

What is the InChIKey of fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

The InChIKey is GDBUMBRCBLEWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N.C18H14NO.C18H14N.C17H12NO.CHF3.4Ir/c19-18(20,21)16-9-5-4-8-15(16)14-10-11-22-17(12-14)13-6-2-1-3-7-13;1-20-18-10-6-5-9-16(18)15-11-12-17(19-13-15)14-7-3-2-4-8-14;1-14-7-5-6-10-17(14)16-11-12-18(19-13-16)15-8-3-2-4-9-15;19-17-9-5-4-8-15(17)14-10-11-16(18-12-14)13-6-2-1-3-7-13;2-1(3)4;;;;/h1-6,8-12H;2-7,9-13H,1H3;2-8,10-13H,1H3;1-6,8-12,19H;1H;;;;/q4*-1;;;;;.

What are the key properties of fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine?

fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine has a molecular weight of 1888.09 g/mol, XLogP of 19.07, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for fluoroform;tetrakis(iridium);5-(2-methoxyphenyl)-2-phenylpyridine;5-(2-methylphenyl)-2-phenylpyridine;2-(6-phenyl-3-pyridinyl)phenol;2-phenyl-4-[2-(trifluoromethyl)phenyl]pyridine is sourced from PubChem (CID 160985118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).