bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

C34H23F3Ir2N3Pt-3 — CID 158808743

IUPACbis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C12H7F3N.2C11H8N.2Ir.Pt/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-4,6-8H;2*1-6,8-9H;;;/q3*-1;;;
InChIKeyNNXPEBNRKONOSA-UHFFFAOYSA-N
MW1110.08 g/mol
LogP8.66
Rot. Bonds3

About bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine

bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (PubChem CID 158808743) has the molecular formula C34H23F3Ir2N3Pt-3 and a molecular weight of 1110.08 g/mol. Its IUPAC name is bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.

Molecular Properties

Compound Namebis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
PubChem CID158808743
Molecular FormulaC34H23F3Ir2N3Pt-3
Molecular Weight1110.08 g/mol
Exact Mass1111.08
IUPAC Namebis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine
SMILESFC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C12H7F3N.2C11H8N.2Ir.Pt/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-4,6-8H;2*1-6,8-9H;;;/q3*-1;;;
InChIKeyNNXPEBNRKONOSA-UHFFFAOYSA-N
XLogP8.66
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001110.08
LogP ≤ 58.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Ir(ppy)3
CID 11388194
Tris[2-(2,4-difluorophenyl)pyridine]iridium(III)
CID 11491171
2,2':6',2''-Terpyridine Platinum(Ii) Chloride
CID 444486
Iridium;tris(2-phenylpyridine)
CID 23386734
(2-(4-methyl-5-phenyl-2-pyridinyl-kappaN)phenyl-kappaC)bis(2-(2-pyridinyl-kappaN)phenyl-kappaC) Iridium
CID 59546880
Tris(benzo(h)quinoline-c10,n)iridium(III)
CID 59734800
tris(2,2'-bipyridine)iron(II)
CID 6857601
tris(2,2'-bipyridine)ruthenium(II)
CID 44176403
4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
Bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium;2-pyridin-2-ylpyridine
CID 170518302
Bis(chloroiridium(2+));tetrakis(2-(2,4-difluorobenzene-6-id-1-yl)pyridine)
CID 11263358
Di-mu-chlorotetrakis[3,5-difluoro-2-(2-pyridinyl-kappaN)phenyl-kappaC]diiridium
CID 54719003

Frequently Asked Questions

What is the IUPAC name of bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The IUPAC name of bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine (CID 158808743) is bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine.
What is the SMILES notation for bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The canonical SMILES for bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is FC(F)(F)c1c[c-]c(-c2ccccn2)cc1.[Ir].[Ir].[Pt].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
The InChIKey is NNXPEBNRKONOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N.2C11H8N.2Ir.Pt/c13-12(14,15)10-6-4-9(5-7-10)11-3-1-2-8-16-11;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;;;/h1-4,6-8H;2*1-6,8-9H;;;/q3*-1;;;.
What are the key properties of bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine?
bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine has a molecular weight of 1110.08 g/mol, XLogP of 8.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(iridium);bis(2-phenylpyridine);platinum;2-[4-(trifluoromethyl)benzene-6-id-1-yl]pyridine is sourced from PubChem (CID 158808743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).