iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine

C29H19F3IrN2-2 — CID 168822016

IUPACiridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
SMILESCc1cc(-c2[c-]c(F)cc(F)c2F)ncc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H11F3N.C11H8N.Ir/c1-11-7-17(14-8-13(19)9-16(20)18(14)21)22-10-15(11)12-5-3-2-4-6-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-7,9-10H,1H3;1-6,8-9H;/q2*-1;
InChIKeyAAZFJPQMFQLDEI-UHFFFAOYSA-N
MW644.70 g/mol
LogP7.49
Rot. Bonds3

About iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine

iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine (PubChem CID 168822016) has the molecular formula C29H19F3IrN2-2 and a molecular weight of 644.70 g/mol. Its IUPAC name is iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine.

Molecular Properties

Compound Nameiridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
PubChem CID168822016
Molecular FormulaC29H19F3IrN2-2
Molecular Weight644.70 g/mol
Exact Mass645.11
IUPAC Nameiridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
SMILESCc1cc(-c2[c-]c(F)cc(F)c2F)ncc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C18H11F3N.C11H8N.Ir/c1-11-7-17(14-8-13(19)9-16(20)18(14)21)22-10-15(11)12-5-3-2-4-6-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-7,9-10H,1H3;1-6,8-9H;/q2*-1;
InChIKeyAAZFJPQMFQLDEI-UHFFFAOYSA-N
XLogP7.49
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500644.70
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

iridium;5-methyl-4-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168821808
iridium;4-methyl-5-pyridin-3-yl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine
CID 168821958
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
2-(4-fluorobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;2-phenylpyridine
CID 168821649
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
2-(3,5-difluorobenzene-6-id-1-yl)-4-methyl-5-pyridin-3-ylpyridine;iridium;2-phenylpyridine
CID 168822034
iridium;2-(3-isocyanobenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;2-phenylpyridine
CID 168821601
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
4-hydroxypent-3-en-2-one;pentakis(iridium);2-(2-methylbenzene-6-id-1-yl)pyridine;tetrakis(2-(3-methylbenzene-6-id-1-yl)pyridine);tris(4-methyl-5-phenyl-2-phenylpyridine)
CID 161433319
tris(4-tert-butyl-6-phenylpyrimidine);4,5-dimethyl-2-phenylpyridine;pentakis(iridium);4-methyl-5-phenyl-2-phenylpyridine;bis(4-phenyl-2-phenylpyridine);bis(6-phenyl-4-phenylpyrimidine);2-phenylpyridine
CID 159940932

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine?
The IUPAC name of iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine (CID 168822016) is iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine.
What is the SMILES notation for iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine?
The canonical SMILES for iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine is Cc1cc(-c2[c-]c(F)cc(F)c2F)ncc1-c1ccccc1.[Ir].[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine?
The InChIKey is AAZFJPQMFQLDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11F3N.C11H8N.Ir/c1-11-7-17(14-8-13(19)9-16(20)18(14)21)22-10-15(11)12-5-3-2-4-6-12;1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-7,9-10H,1H3;1-6,8-9H;/q2*-1;.
What are the key properties of iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine?
iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine has a molecular weight of 644.70 g/mol, XLogP of 7.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-5-phenyl-2-(2,3,5-trifluorobenzene-6-id-1-yl)pyridine;2-phenylpyridine is sourced from PubChem (CID 168822016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).