iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)

C51H45IrN3 — CID 159550728

IUPACiridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
SMILESCc1cccc(-c2ccc3ccc(C)cc3n2)c1.Cc1cccc(-c2ccc3ccc(C)cc3n2)c1.Cc1cccc(-c2ccc3ccc(C)cc3n2)c1.[Ir]
InChIInChI=1S/3C17H15N.Ir/c3*1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;/h3*3-11H,1-2H3;
InChIKeyMFIXIRFOBSYCBX-UHFFFAOYSA-N
MW892.16 g/mol
LogP13.55
Rot. Bonds3

About iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)

iridium;tris(7-methyl-2-(3-methylphenyl)quinoline) (PubChem CID 159550728) has the molecular formula C51H45IrN3 and a molecular weight of 892.16 g/mol. Its IUPAC name is iridium;tris(7-methyl-2-(3-methylphenyl)quinoline).

Molecular Properties

Compound Nameiridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
PubChem CID159550728
Molecular FormulaC51H45IrN3
Molecular Weight892.16 g/mol
Exact Mass892.32
IUPAC Nameiridium;tris(7-methyl-2-(3-methylphenyl)quinoline)
SMILESCc1cccc(-c2ccc3ccc(C)cc3n2)c1.Cc1cccc(-c2ccc3ccc(C)cc3n2)c1.Cc1cccc(-c2ccc3ccc(C)cc3n2)c1.[Ir]
InChIInChI=1S/3C17H15N.Ir/c3*1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;/h3*3-11H,1-2H3;
InChIKeyMFIXIRFOBSYCBX-UHFFFAOYSA-N
XLogP13.55
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500892.16
LogP ≤ 513.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

carbanide;(Z)-4-hydroxypent-3-en-2-one;iridium;7-methyl-2-(3-methylphenyl)quinoline
CID 176631221
2-(3-methylphenyl)-7-propylquinoline
CID 157170662
2-(3,4-dichlorophenyl)-7-methylquinoline
CID 135057486
7-cyclohexyl-2-(3-methylphenyl)quinoline
CID 138464250
2-(3-methylphenyl)pyridine;bis(2-phenylquinoline);ruthenium(3+)
CID 172795269
2-(3,5-dimethylphenyl)-7-phenylquinoline
CID 58162359
2-(3-methylphenyl)-6-propan-2-ylpyridine
CID 142459956
6-fluoro-5,7-dimethyl-2-(3-methylphenyl)quinoline
CID 138464468
[3-(6-methylquinolin-2-yl)phenyl]methanamine
CID 174921519
2-chloro-4-(3-methylphenyl)pyrimidine
CID 24901884
2-(3,5-dimethylphenyl)-9-[3-[9-(3,5-dimethylphenyl)-1,10-phenanthrolin-2-yl]phenyl]-1,10-phenanthroline
CID 59010486
6-cyclopentyl-2-(3,5-dimethylphenyl)quinoline;6-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-(3-methylphenyl)quinoline;7-cyclopentyl-2-phenylquinoline
CID 159254745

Frequently Asked Questions

What is the IUPAC name of iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)?
The IUPAC name of iridium;tris(7-methyl-2-(3-methylphenyl)quinoline) (CID 159550728) is iridium;tris(7-methyl-2-(3-methylphenyl)quinoline).
What is the SMILES notation for iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)?
The canonical SMILES for iridium;tris(7-methyl-2-(3-methylphenyl)quinoline) is Cc1cccc(-c2ccc3ccc(C)cc3n2)c1.Cc1cccc(-c2ccc3ccc(C)cc3n2)c1.Cc1cccc(-c2ccc3ccc(C)cc3n2)c1.[Ir].
What is the InChIKey of iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)?
The InChIKey is MFIXIRFOBSYCBX-UHFFFAOYSA-N. The full InChI is InChI=1S/3C17H15N.Ir/c3*1-12-4-3-5-15(10-12)16-9-8-14-7-6-13(2)11-17(14)18-16;/h3*3-11H,1-2H3;.
What are the key properties of iridium;tris(7-methyl-2-(3-methylphenyl)quinoline)?
iridium;tris(7-methyl-2-(3-methylphenyl)quinoline) has a molecular weight of 892.16 g/mol, XLogP of 13.55, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;tris(7-methyl-2-(3-methylphenyl)quinoline) is sourced from PubChem (CID 159550728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).