iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane

C41H46IrN2 — CID 157434360

IUPACiridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.[Ir].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/2C15H11N.C11H24.Ir/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10(2,3)8-7-9-11(4,5)6;/h2*1-11H;7-9H2,1-6H3;
InChIKeyBQXMZQOXEJGHLI-UHFFFAOYSA-N
MW759.05 g/mol
LogP12.05
Rot. Bonds4

About iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane

iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane (PubChem CID 157434360) has the molecular formula C41H46IrN2 and a molecular weight of 759.05 g/mol. Its IUPAC name is iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane.

Molecular Properties

Compound Nameiridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
PubChem CID157434360
Molecular FormulaC41H46IrN2
Molecular Weight759.05 g/mol
Exact Mass759.33
IUPAC Nameiridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
SMILESCC(C)(C)CCCC(C)(C)C.[Ir].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/2C15H11N.C11H24.Ir/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10(2,3)8-7-9-11(4,5)6;/h2*1-11H;7-9H2,1-6H3;
InChIKeyBQXMZQOXEJGHLI-UHFFFAOYSA-N
XLogP12.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.05
LogP ≤ 512.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

iridium;tris(2-phenylquinoline)
CID 122129463
dichloroplatinum;2-phenylquinoline
CID 175341425
tert-butyl carbamate;2-phenylquinoline
CID 175279486
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
2-(4-propylphenyl)quinoline
CID 69251676
N-methyl-1-(4-quinolin-2-ylphenyl)methanamine
CID 116645004
2-(3-tert-butyl-5-ethylphenyl)quinoline
CID 153463392
2-(4-hexylphenyl)quinoline;iridium(3+)
CID 161040240
2-[3-(2-phenylphenyl)phenyl]quinoline
CID 68954156
2-[4-[3-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]quinoline
CID 129265578
2-(3-tert-butyl-5-methylphenyl)quinoline
CID 146511822
2-phenylbenzo[g]quinoline
CID 45113076

Frequently Asked Questions

What is the IUPAC name of iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane?
The IUPAC name of iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane (CID 157434360) is iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane.
What is the SMILES notation for iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane?
The canonical SMILES for iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane is CC(C)(C)CCCC(C)(C)C.[Ir].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane?
The InChIKey is BQXMZQOXEJGHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H11N.C11H24.Ir/c2*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;1-10(2,3)8-7-9-11(4,5)6;/h2*1-11H;7-9H2,1-6H3;.
What are the key properties of iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane?
iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane has a molecular weight of 759.05 g/mol, XLogP of 12.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane is sourced from PubChem (CID 157434360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).