iridium;2-phenylbenzo[h]quinoline

C19H13IrN — CID 175438986

IUPACiridium;2-phenylbenzo[h]quinoline
SMILES[Ir].c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C19H13N.Ir/c1-2-7-15(8-3-1)18-13-12-16-11-10-14-6-4-5-9-17(14)19(16)20-18;/h1-13H;
InChIKeyQHXSERIXUPZUEG-UHFFFAOYSA-N
MW447.54 g/mol
LogP5.05
Rot. Bonds1

About iridium;2-phenylbenzo[h]quinoline

iridium;2-phenylbenzo[h]quinoline (PubChem CID 175438986) has the molecular formula C19H13IrN and a molecular weight of 447.54 g/mol. Its IUPAC name is iridium;2-phenylbenzo[h]quinoline.

Molecular Properties

Compound Nameiridium;2-phenylbenzo[h]quinoline
PubChem CID175438986
Molecular FormulaC19H13IrN
Molecular Weight447.54 g/mol
Exact Mass448.07
IUPAC Nameiridium;2-phenylbenzo[h]quinoline
SMILES[Ir].c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1
InChIInChI=1S/C19H13N.Ir/c1-2-7-15(8-3-1)18-13-12-16-11-10-14-6-4-5-9-17(14)19(16)20-18;/h1-13H;
InChIKeyQHXSERIXUPZUEG-UHFFFAOYSA-N
XLogP5.05
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.54
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-(3-benzo[h]quinolin-2-ylphenyl)benzo[h]quinoline
CID 10741400
2-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]benzo[h]quinoline
CID 129265511
2-(10-phenylanthracen-9-yl)benzo[h]quinoline
CID 59629573
CID 89063916
CID 89063916
(4-benzo[h]quinolin-2-ylphenyl)-diphenyl-selanylidene-λ5-phosphane
CID 165070719
2-phenyl-9-[4-(10-phenylanthracen-9-yl)phenyl]-1,10-phenanthroline
CID 134596708
2-phenylquinolin-8-olate
CID 22660489
9-naphthalen-2-yl-2-[4-(9-naphthalen-2-ylbenzo[h]quinolin-2-yl)phenyl]benzo[h]quinoline
CID 59010374
2-phenyl-9-triphenylen-2-yl-1,10-phenanthroline
CID 170166669
2-phenyl-9-[6-(9-phenyl-1,10-phenanthrolin-2-yl)-2-pyridinyl]-1,10-phenanthroline
CID 129265651
2-[7-[7-[4-(2,6-diphenylpyrimidin-4-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline;2-[7-[7-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]quinolin-2-yl]quinolin-2-yl]benzo[h]quinoline
CID 165009451
(4-benzo[h]quinolin-2-ylphenyl)-naphthalen-2-yl-phenyl-selanylidene-λ5-phosphane
CID 164986129

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenylbenzo[h]quinoline?
The IUPAC name of iridium;2-phenylbenzo[h]quinoline (CID 175438986) is iridium;2-phenylbenzo[h]quinoline.
What is the SMILES notation for iridium;2-phenylbenzo[h]quinoline?
The canonical SMILES for iridium;2-phenylbenzo[h]quinoline is [Ir].c1ccc(-c2ccc3ccc4ccccc4c3n2)cc1.
What is the InChIKey of iridium;2-phenylbenzo[h]quinoline?
The InChIKey is QHXSERIXUPZUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N.Ir/c1-2-7-15(8-3-1)18-13-12-16-11-10-14-6-4-5-9-17(14)19(16)20-18;/h1-13H;.
What are the key properties of iridium;2-phenylbenzo[h]quinoline?
iridium;2-phenylbenzo[h]quinoline has a molecular weight of 447.54 g/mol, XLogP of 5.05, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenylbenzo[h]quinoline is sourced from PubChem (CID 175438986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).