iridium;tris(4-methyl-2,5-diphenylpyridine)

C54H45IrN3 — CID 158257140

IUPACiridium;tris(4-methyl-2,5-diphenylpyridine)
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccc2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/3C18H15N.Ir/c3*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;/h3*2-13H,1H3;
InChIKeyGHKNZXPHWNOQLD-UHFFFAOYSA-N
MW928.19 g/mol
LogP14.17
Rot. Bonds6

About iridium;tris(4-methyl-2,5-diphenylpyridine)

iridium;tris(4-methyl-2,5-diphenylpyridine) (PubChem CID 158257140) has the molecular formula C54H45IrN3 and a molecular weight of 928.19 g/mol. Its IUPAC name is iridium;tris(4-methyl-2,5-diphenylpyridine).

Molecular Properties

Compound Nameiridium;tris(4-methyl-2,5-diphenylpyridine)
PubChem CID158257140
Molecular FormulaC54H45IrN3
Molecular Weight928.19 g/mol
Exact Mass928.32
IUPAC Nameiridium;tris(4-methyl-2,5-diphenylpyridine)
SMILESCc1cc(-c2ccccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccc2)ncc1-c1ccccc1.[Ir]
InChIInChI=1S/3C18H15N.Ir/c3*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;/h3*2-13H,1H3;
InChIKeyGHKNZXPHWNOQLD-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

ethane;4-methyl-2-(4-methylphenyl)-5-phenylpyridine
CID 142296902
5-(4-fluorophenyl)-4-methyl-2-(4-phenylphenyl)pyridine
CID 142322042
methane;4-methyl-5-(2-methylphenyl)-2-phenylpyridine
CID 142322015
5-[2-[3,5-bis[2-(4,6-diphenyl-3-pyridinyl)phenyl]phenyl]phenyl]-4-methyl-2-phenylpyridine
CID 122487855
5-(2-bromophenyl)-4-methyl-2-phenylpyridine
CID 122487761
4-methyl-2-phenyl-5-[2-[2,4,6-trimethyl-3,5-bis[2-(4-methyl-6-phenyl-3-pyridinyl)phenyl]phenyl]phenyl]pyridine
CID 134191341
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
2-(3-diphenylphosphorylphenyl)-4-methyl-5-phenylpyridine
CID 140732533
2-(3-benzyl-4-methylphenyl)-4-methyl-5-phenylpyridine
CID 162709142
2-[4-[2-[3-[2-(4,6-diphenyl-3-pyridinyl)phenyl]-5-methoxyphenyl]phenyl]phenyl]-4-methyl-5-phenylpyridine;ethane
CID 142521070
5-(4-fluorophenyl)-4-methyl-2-(4-methylphenyl)pyridine
CID 142308493
5-[2-[3,5-bis[2-[4-methyl-6-[3-(3-phenylphenyl)phenyl]-3-pyridinyl]phenyl]phenyl]phenyl]-4-methyl-2-[3-(3-phenylphenyl)phenyl]pyridine
CID 140838981

Frequently Asked Questions

What is the IUPAC name of iridium;tris(4-methyl-2,5-diphenylpyridine)?
The IUPAC name of iridium;tris(4-methyl-2,5-diphenylpyridine) (CID 158257140) is iridium;tris(4-methyl-2,5-diphenylpyridine).
What is the SMILES notation for iridium;tris(4-methyl-2,5-diphenylpyridine)?
The canonical SMILES for iridium;tris(4-methyl-2,5-diphenylpyridine) is Cc1cc(-c2ccccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccc2)ncc1-c1ccccc1.Cc1cc(-c2ccccc2)ncc1-c1ccccc1.[Ir].
What is the InChIKey of iridium;tris(4-methyl-2,5-diphenylpyridine)?
The InChIKey is GHKNZXPHWNOQLD-UHFFFAOYSA-N. The full InChI is InChI=1S/3C18H15N.Ir/c3*1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;/h3*2-13H,1H3;.
What are the key properties of iridium;tris(4-methyl-2,5-diphenylpyridine)?
iridium;tris(4-methyl-2,5-diphenylpyridine) 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(4-methyl-2,5-diphenylpyridine) is sourced from PubChem (CID 158257140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).