bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)

C50H62IrN2+3 — CID 175803580

IUPACbis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)
SMILESCc1cccc(-c2nc3ccccc3c(CC(C)C)c2CC(C)C)c1C.Cc1cccc(-c2nc3ccccc3c(CC(C)C)c2CC(C)C)c1C.[Ir+3]
InChIInChI=1S/2C25H31N.Ir/c2*1-16(2)14-22-21-11-7-8-13-24(21)26-25(23(22)15-17(3)4)20-12-9-10-18(5)19(20)6;/h2*7-13,16-17H,14-15H2,1-6H3;/q;;+3
InChIKeyRFDOOEIBHAROCL-UHFFFAOYSA-N
MW883.28 g/mol
LogP13.83
Rot. Bonds10

About bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)

bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+) (PubChem CID 175803580) has the molecular formula C50H62IrN2+3 and a molecular weight of 883.28 g/mol. Its IUPAC name is bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+).

Molecular Properties

Compound Namebis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)
PubChem CID175803580
Molecular FormulaC50H62IrN2+3
Molecular Weight883.28 g/mol
Exact Mass883.45
IUPAC Namebis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)
SMILESCc1cccc(-c2nc3ccccc3c(CC(C)C)c2CC(C)C)c1C.Cc1cccc(-c2nc3ccccc3c(CC(C)C)c2CC(C)C)c1C.[Ir+3]
InChIInChI=1S/2C25H31N.Ir/c2*1-16(2)14-22-21-11-7-8-13-24(21)26-25(23(22)15-17(3)4)20-12-9-10-18(5)19(20)6;/h2*7-13,16-17H,14-15H2,1-6H3;/q;;+3
InChIKeyRFDOOEIBHAROCL-UHFFFAOYSA-N
XLogP13.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500883.28
LogP ≤ 513.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)?
The IUPAC name of bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+) (CID 175803580) is bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+).
What is the SMILES notation for bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)?
The canonical SMILES for bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+) is Cc1cccc(-c2nc3ccccc3c(CC(C)C)c2CC(C)C)c1C.Cc1cccc(-c2nc3ccccc3c(CC(C)C)c2CC(C)C)c1C.[Ir+3].
What is the InChIKey of bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)?
The InChIKey is RFDOOEIBHAROCL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C25H31N.Ir/c2*1-16(2)14-22-21-11-7-8-13-24(21)26-25(23(22)15-17(3)4)20-12-9-10-18(5)19(20)6;/h2*7-13,16-17H,14-15H2,1-6H3;/q;;+3.
What are the key properties of bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+)?
bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+) has a molecular weight of 883.28 g/mol, XLogP of 13.83, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(2,3-dimethylphenyl)-3,4-bis(2-methylpropyl)quinoline);iridium(3+) is sourced from PubChem (CID 175803580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).