iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)

C30H18F9IrN3S3+3 — CID 21099937

IUPACiridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)
SMILESFC(F)(F)c1ccnc(-c2cccs2)c1.FC(F)(F)c1ccnc(-c2cccs2)c1.FC(F)(F)c1ccnc(-c2cccs2)c1.[Ir+3]
InChIInChI=1S/3C10H6F3NS.Ir/c3*11-10(12,13)7-3-4-14-8(6-7)9-2-1-5-15-9;/h3*1-6H;/q;;;+3
InChIKeyONWPWSCAYHAZBY-UHFFFAOYSA-N
MW879.89 g/mol
LogP11.48
Rot. Bonds3

About iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)

iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine) (PubChem CID 21099937) has the molecular formula C30H18F9IrN3S3+3 and a molecular weight of 879.89 g/mol. Its IUPAC name is iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine).

Molecular Properties

Compound Nameiridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)
PubChem CID21099937
Molecular FormulaC30H18F9IrN3S3+3
Molecular Weight879.89 g/mol
Exact Mass880.01
IUPAC Nameiridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)
SMILESFC(F)(F)c1ccnc(-c2cccs2)c1.FC(F)(F)c1ccnc(-c2cccs2)c1.FC(F)(F)c1ccnc(-c2cccs2)c1.[Ir+3]
InChIInChI=1S/3C10H6F3NS.Ir/c3*11-10(12,13)7-3-4-14-8(6-7)9-2-1-5-15-9;/h3*1-6H;/q;;;+3
InChIKeyONWPWSCAYHAZBY-UHFFFAOYSA-N
XLogP11.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500879.89
LogP ≤ 511.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
Bis-(5-pyridin-3-yl-thiophen-2-ylmethyl)-amine
CID 11210706
2-[(3-Pyridinylmethyl)sulfanyl]-6-(2-thienyl)-4-(trifluoromethyl)nicotinonitrile
CID 1086290
2-Methyl-6-[(5-thien-2-ylpyridin-3-yl)ethynyl]pyridine
CID 44392452
3-(4-Pyridin-3-ylthiophen-2-yl)pyridine
CID 46316704
2,6-Dipyridin-2-yl-4-[4-[4-(5-thiophen-2-ylthiophen-2-yl)triazol-1-yl]phenyl]pyridine
CID 162673613
2,6-Dipyridin-2-yl-4-thiophen-2-ylpyridine
CID 850136
2,3,5,6-Tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
CID 118911846
2-Pyridin-4-yl-4,6-dithiophen-2-ylpyridine
CID 16750521
(5-Pyridin-3-ylthiophen-2-yl)methanamine;bis((5-pyridin-3-ylthiophen-2-yl)methanimine)
CID 44388657
2-Pyridin-2-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423804
2-Pyridin-4-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423805

Frequently Asked Questions

What is the IUPAC name of iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)?
The IUPAC name of iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine) (CID 21099937) is iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine).
What is the SMILES notation for iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)?
The canonical SMILES for iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine) is FC(F)(F)c1ccnc(-c2cccs2)c1.FC(F)(F)c1ccnc(-c2cccs2)c1.FC(F)(F)c1ccnc(-c2cccs2)c1.[Ir+3].
What is the InChIKey of iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)?
The InChIKey is ONWPWSCAYHAZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C10H6F3NS.Ir/c3*11-10(12,13)7-3-4-14-8(6-7)9-2-1-5-15-9;/h3*1-6H;/q;;;+3.
What are the key properties of iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine)?
iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine) has a molecular weight of 879.89 g/mol, XLogP of 11.48, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for iridium(3+);tris(2-thiophen-2-yl-4-(trifluoromethyl)pyridine) is sourced from PubChem (CID 21099937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).