4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium

C40H33FIrN2O-2 — CID 164798183

IUPAC4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESCc1cnc(-c2[c-]cccc2)cc1CC(C)(C)C.Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1ccccc1.[Ir]
InChIInChI=1S/C23H13FNO.C17H20N.Ir/c24-19-13-12-17-16-9-6-10-18(20-11-4-5-14-25-20)22(16)26-23(17)21(19)15-7-2-1-3-8-15;1-13-12-18-16(14-8-6-5-7-9-14)10-15(13)11-17(2,3)4;/h1-9,11-14H;5-8,10,12H,11H2,1-4H3;/q2*-1;
InChIKeyPLPFHIAYBJTOGJ-UHFFFAOYSA-N
MW768.93 g/mol
LogP10.70
Rot. Bonds4

About 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium

4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium (PubChem CID 164798183) has the molecular formula C40H33FIrN2O-2 and a molecular weight of 768.93 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
PubChem CID164798183
Molecular FormulaC40H33FIrN2O-2
Molecular Weight768.93 g/mol
Exact Mass769.22
IUPAC Name4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium
SMILESCc1cnc(-c2[c-]cccc2)cc1CC(C)(C)C.Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1ccccc1.[Ir]
InChIInChI=1S/C23H13FNO.C17H20N.Ir/c24-19-13-12-17-16-9-6-10-18(20-11-4-5-14-25-20)22(16)26-23(17)21(19)15-7-2-1-3-8-15;1-13-12-18-16(14-8-6-5-7-9-14)10-15(13)11-17(2,3)4;/h1-9,11-14H;5-8,10,12H,11H2,1-4H3;/q2*-1;
InChIKeyPLPFHIAYBJTOGJ-UHFFFAOYSA-N
XLogP10.70
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500768.93
LogP ≤ 510.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium 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

2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-(2-methylpropyl)-2-phenylpyridine
CID 164797534
2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;4-methyl-2-phenylpyridine
CID 164798094
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-1-methyl-9H-[1]benzofuro[3,2-h]isoquinolin-9-ide;iridium;5-methyl-2-phenylpyridine
CID 172522725
10-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-3-methyl-9H-[1]benzofuro[3,2-h]isoquinolin-9-ide;iridium;5-methyl-2-phenylpyridine
CID 172522654
2-(7-fluoro-6-naphthalen-1-yl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 165386052
4-(2,6-dimethylphenyl)-5-(2,2-dimethylpropyl)-2-(2-methyl-8H-[1]benzothiolo[7,6-b][1]benzofuran-8-id-9-yl)pyridine;iridium;2-phenylpyridine
CID 168829280
4-[4-(2,2-dimethylpropyl)phenyl]-2-phenylpyridine;iridium;3-methyl-10-pyridin-2-yl-9H-[1]benzofuro[2,3-f]quinolin-9-ide
CID 172522494
8-[4-(2,2-dimethylpropyl)-5-methyl-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-(6-phenyl-4-propan-2-yl-3-pyridinyl)silane
CID 155611207
[4-(2,2-dimethylpropyl)-6-phenyl-3-pyridinyl]-trimethylsilane;iridium;5-methyl-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)-4-propan-2-ylpyridine
CID 166578833
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
[4-[3-fluoro-6-(4-propan-2-yl-2-pyridinyl)-7H-dibenzofuran-7-id-4-yl]phenyl]-trimethylsilane;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164832358
2-(2,6-dimethylphenyl)-8-[5-(2,2-dimethylpropyl)-2-pyridinyl]-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;2-phenylpyridine
CID 168828015

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The IUPAC name of 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium (CID 164798183) is 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The canonical SMILES for 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium is Cc1cnc(-c2[c-]cccc2)cc1CC(C)(C)C.Fc1ccc2c(oc3c(-c4ccccn4)[c-]ccc32)c1-c1ccccc1.[Ir].
What is the InChIKey of 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
The InChIKey is PLPFHIAYBJTOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H13FNO.C17H20N.Ir/c24-19-13-12-17-16-9-6-10-18(20-11-4-5-14-25-20)22(16)26-23(17)21(19)15-7-2-1-3-8-15;1-13-12-18-16(14-8-6-5-7-9-14)10-15(13)11-17(2,3)4;/h1-9,11-14H;5-8,10,12H,11H2,1-4H3;/q2*-1;.
What are the key properties of 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium?
4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium has a molecular weight of 768.93 g/mol, XLogP of 10.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-5-methyl-2-phenylpyridine;2-(7-fluoro-6-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium is sourced from PubChem (CID 164798183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).