10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine

C31H22IrN2-2 — CID 140719052

IUPAC10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C18H14N.C13H8N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h2-10,12-13H,1H3;1-5,7-9H;/q2*-1;
InChIKeyZRFIKMPLZYASSM-UHFFFAOYSA-N
MW614.75 g/mol
LogP7.71
Rot. Bonds2

About 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine

10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine (PubChem CID 140719052) has the molecular formula C31H22IrN2-2 and a molecular weight of 614.75 g/mol. Its IUPAC name is 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine.

Molecular Properties

Compound Name10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
PubChem CID140719052
Molecular FormulaC31H22IrN2-2
Molecular Weight614.75 g/mol
Exact Mass615.14
IUPAC Name10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1cccc2ccc3cccnc3c12
InChIInChI=1S/C18H14N.C13H8N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h2-10,12-13H,1H3;1-5,7-9H;/q2*-1;
InChIKeyZRFIKMPLZYASSM-UHFFFAOYSA-N
XLogP7.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.75
LogP ≤ 57.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
iridium;4-methyl-2-(3-phenylbenzene-6-id-1-yl)pyrimidine;4-methyl-5-phenyl-2-phenylpyridine
CID 140847681
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
bis(10H-benzo[h]quinolin-10-ide);tetrakis(iridium(3+));bis(2-(4-methylbenzene-6-id-1-yl)pyridine);octakis(2-phenylpyridine)
CID 157371936
4-ethyl-5-phenyl-2-phenylpyridine;tris(iridium);4-methyl-5-naphthalen-2-yl-2-phenylpyridine;4-methyl-5-phenyl-2-phenylpyridine;bis(2-methyl-6-phenylpyridine);2-phenylpyridine
CID 160700604
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
beryllium bis(10H-benzo[h]quinolin-10-ide)
CID 156697230
iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535

Frequently Asked Questions

What is the IUPAC name of 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine?
The IUPAC name of 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine (CID 140719052) is 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine.
What is the SMILES notation for 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine?
The canonical SMILES for 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.[Ir].[c-]1cccc2ccc3cccnc3c12.
What is the InChIKey of 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine?
The InChIKey is ZRFIKMPLZYASSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.C13H8N.Ir/c1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;1-2-6-12-10(4-1)7-8-11-5-3-9-14-13(11)12;/h2-10,12-13H,1H3;1-5,7-9H;/q2*-1;.
What are the key properties of 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine?
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine has a molecular weight of 614.75 g/mol, XLogP of 7.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine is sourced from PubChem (CID 140719052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).