iridium;tris(2-phenylquinoline)

C45H33IrN3 — CID 122129463

IUPACiridium;tris(2-phenylquinoline)
SMILES[Ir].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/3C15H11N.Ir/c3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h3*1-11H;
InChIKeyBNASDYJRNOLPQY-UHFFFAOYSA-N
MW808.00 g/mol
LogP11.70
Rot. Bonds3

About iridium;tris(2-phenylquinoline)

iridium;tris(2-phenylquinoline) (PubChem CID 122129463) has the molecular formula C45H33IrN3 and a molecular weight of 808.00 g/mol. Its IUPAC name is iridium;tris(2-phenylquinoline).

Molecular Properties

Compound Nameiridium;tris(2-phenylquinoline)
PubChem CID122129463
Molecular FormulaC45H33IrN3
Molecular Weight808.00 g/mol
Exact Mass808.23
IUPAC Nameiridium;tris(2-phenylquinoline)
SMILES[Ir].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1
InChIInChI=1S/3C15H11N.Ir/c3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h3*1-11H;
InChIKeyBNASDYJRNOLPQY-UHFFFAOYSA-N
XLogP11.70
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500808.00
LogP ≤ 511.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dichloroplatinum;2-phenylquinoline
CID 175341425
iridium;bis(2-phenylquinoline);2,2,6,6-tetramethylheptane
CID 157434360
2-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-2-pyridinyl]quinoline
CID 170652153
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-phenylbenzo[g]quinoline
CID 45113076
2-(7-quinolin-2-ylnaphthalen-2-yl)quinoline
CID 176883836
2-[4-(difluoromethyl)phenyl]quinoline
CID 140737123
2-phenylquinoline;quinolin-8-ol
CID 159295421
2-[4-(3-fluorophenyl)phenyl]quinoline
CID 171056461
2,4-diphenyl-6-[4-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3,5-triazine;2-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]quinoline
CID 160919258
2,4-bis(4-phenylphenyl)-6-(4-quinolin-2-ylphenyl)benzo[h]quinoline
CID 70958913

Frequently Asked Questions

What is the IUPAC name of iridium;tris(2-phenylquinoline)?
The IUPAC name of iridium;tris(2-phenylquinoline) (CID 122129463) is iridium;tris(2-phenylquinoline).
What is the SMILES notation for iridium;tris(2-phenylquinoline)?
The canonical SMILES for iridium;tris(2-phenylquinoline) is [Ir].c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.c1ccc(-c2ccc3ccccc3n2)cc1.
What is the InChIKey of iridium;tris(2-phenylquinoline)?
The InChIKey is BNASDYJRNOLPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/3C15H11N.Ir/c3*1-2-6-12(7-3-1)15-11-10-13-8-4-5-9-14(13)16-15;/h3*1-11H;.
What are the key properties of iridium;tris(2-phenylquinoline)?
iridium;tris(2-phenylquinoline) has a molecular weight of 808.00 g/mol, XLogP of 11.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;tris(2-phenylquinoline) is sourced from PubChem (CID 122129463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).