iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)

C54H45IrN3 — CID 173084530

IUPACiridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
SMILESCc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.[Ir]
InChIInChI=1S/3C18H15N.Ir/c3*1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18;/h3*2-13H,1H3;
InChIKeyAMPMXEDTJYYHTO-UHFFFAOYSA-N
MW928.19 g/mol
LogP14.17
Rot. Bonds6

About iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)

iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine) (PubChem CID 173084530) has the molecular formula C54H45IrN3 and a molecular weight of 928.19 g/mol. Its IUPAC name is iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine).

Molecular Properties

Compound Nameiridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
PubChem CID173084530
Molecular FormulaC54H45IrN3
Molecular Weight928.19 g/mol
Exact Mass928.32
IUPAC Nameiridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)
SMILESCc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.[Ir]
InChIInChI=1S/3C18H15N.Ir/c3*1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18;/h3*2-13H,1H3;
InChIKeyAMPMXEDTJYYHTO-UHFFFAOYSA-N
XLogP14.17
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500928.19
LogP ≤ 514.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-methylphenyl)pyridine;silver
CID 121395993
2-[4-(bromomethyl)phenyl]pyridine;2-(4-methylphenyl)pyridine
CID 175312241
3-(4-methylphenyl)-5-pyridin-2-ylpyridine
CID 59510713
trimethyl-[4-(4-pyridin-2-ylphenyl)phenyl]silane
CID 157387060
ethane;4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine
CID 142185712
bis(iridium);tetrakis(4-pyridin-2-ylphenol)
CID 173084104
2-[4-[4-[4-(4-fluorophenyl)phenyl]phenyl]phenyl]pyridine
CID 171056601
CID 158478788
CID 158478788
N-[(4-methylphenyl)methyl]-N'-[(4-pyridin-2-ylphenyl)methyl]ethane-1,2-diamine
CID 159589094
2-[3-[3-(3,5-dipyridin-2-ylphenyl)-5-methylphenyl]-5-pyridin-2-ylphenyl]pyridine
CID 58556429
chloroplatinum(1+);4-(4-methylphenyl)-2,6-dipyridin-2-ylpyridine;chloride
CID 165430889
CID 88530161
CID 88530161

Frequently Asked Questions

What is the IUPAC name of iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)?
The IUPAC name of iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine) (CID 173084530) is iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine).
What is the SMILES notation for iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)?
The canonical SMILES for iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine) is Cc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccn3)cc2)cc1.[Ir].
What is the InChIKey of iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)?
The InChIKey is AMPMXEDTJYYHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15N.Ir/c3*1-14-5-7-15(8-6-14)16-9-11-17(12-10-16)18-4-2-3-13-19-18;/h3*2-13H,1H3;.
What are the key properties of iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine)?
iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine) has a molecular weight of 928.19 g/mol, XLogP of 14.17, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;tris(2-[4-(4-methylphenyl)phenyl]pyridine) is sourced from PubChem (CID 173084530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).