10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C67H43F5Ir5N6PtS-6 — CID 159816454

About 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 159816454) has the molecular formula C67H43F5Ir5N6PtS-6 and a molecular weight of 2215.34 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

• Compound Name: 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• PubChem CID: 159816454
• Molecular Formula: C67H43F5Ir5N6PtS-6
• Molecular Weight: 2215.34 g/mol
• Exact Mass: 2218.10
• IUPAC Name: 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
• SMILES: FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1
• InChI: InChI=1S/C13H8N.C12H7F3N.C11H6F2N.2C11H8N.C9H6NS.5Ir.Pt/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;;;;;;/h1-5,7-9H;1-4,6-8H;1-3,5-7H;2*1-6,8-9H;1-4,6-7H;;;;;;/q6*-1
• InChIKey: FTRKOLPJMQTSCE-UHFFFAOYSA-N
• XLogP: 17.28
• TPSA: 77.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2215.34
LogP ≤ 5	17.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The IUPAC name of 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 159816454) is 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The canonical SMILES for 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.Fc1c[c-]c(-c2ccccn2)cc1F.[Ir].[Ir].[Ir].[Ir].[Ir].[Pt].[c-]1cccc2ccc3cccnc3c12.[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.[c-]1ccsc1-c1ccccn1.

What is the InChIKey of 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

The InChIKey is FTRKOLPJMQTSCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8N.C12H7F3N.C11H6F2N.2C11H8N.C9H6NS.5Ir.Pt/c1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;12-9-5-4-8(7-10(9)13)11-3-1-2-6-14-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;1-2-6-10-8(4-1)9-5-3-7-11-9;;;;;;/h1-5,7-9H;1-4,6-8H;1-3,5-7H;2*1-6,8-9H;1-4,6-7H;;;;;;/q6*-1;;;;;;.

What are the key properties of 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?

10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 2215.34 g/mol, XLogP of 17.28, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 10H-benzo[h]quinolin-10-ide;2-(3,4-difluorobenzene-6-id-1-yl)pyridine;pentakis(iridium);bis(2-phenylpyridine);platinum;2-(3H-thiophen-3-id-2-yl)pyridine;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 159816454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).