iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

C39H25IrN3O2-2 — CID 171438813

IUPACiridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESOc1ccccc1-c1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C22H13N2O.C17H12NO.Ir/c1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;19-17-12-5-4-9-14(17)16-11-6-10-15(18-16)13-7-2-1-3-8-13;/h1-13H;1-7,9-12,19H;/q2*-1;
InChIKeyFFFUJVJMLMJXFU-UHFFFAOYSA-N
MW759.87 g/mol
LogP9.43
Rot. Bonds4

About iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine

iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (PubChem CID 171438813) has the molecular formula C39H25IrN3O2-2 and a molecular weight of 759.87 g/mol. Its IUPAC name is iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
PubChem CID171438813
Molecular FormulaC39H25IrN3O2-2
Molecular Weight759.87 g/mol
Exact Mass760.16
IUPAC Nameiridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine
SMILESOc1ccccc1-c1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1
InChIInChI=1S/C22H13N2O.C17H12NO.Ir/c1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;19-17-12-5-4-9-14(17)16-11-6-10-15(18-16)13-7-2-1-3-8-13;/h1-13H;1-7,9-12,19H;/q2*-1;
InChIKeyFFFUJVJMLMJXFU-UHFFFAOYSA-N
XLogP9.43
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500759.87
LogP ≤ 59.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[6-(4-fluorobenzene-6-id-1-yl)-2-pyridinyl]phenol;iridium;2-[4-(4-methyl-2-pyridinyl)-3H-dibenzofuran-3-id-2-yl]-4-phenylpyridine
CID 171438645
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium(3+);bis(2-methyl-6-phenylpyridine)
CID 59500229
2-(3H-dibenzofuran-3-id-4-yl)-1-(2,6-diphenylphenyl)imidazole;iridium;2-phenylpyridine
CID 166010889
2-(3H-dibenzofuran-3-id-4-yl)-4-methylpyridine;iridium;2-methyl-6-phenylpyridine
CID 155625049
4-(9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaen-11-yl)-2-phenylpyridine;iridium;2-phenylpyridine
CID 164802889
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;5-methyl-2-phenylpyridine
CID 140775803
2-(3H-dibenzofuran-3-id-4-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500289
nickel;2-[6-(6-phenyl-2-pyridinyl)-2-pyridinyl]phenol
CID 153499066
2-[1-[2-phenyl-4-(trideuteriomethyl)phenyl]-4-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)benzimidazol-2-yl]phenol;platinum
CID 162782836
2-[1-naphthalen-1-yl-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]phenol;2-[1-naphthalen-1-yl-4-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)benzimidazol-2-yl]-5-phenylphenol;2-[1-naphthalen-1-yl-4-[2-(5-trimethylsilyl-2-pyridinyl)-3H-dibenzofuran-3-id-4-yl]benzimidazol-2-yl]-5-phenylphenol;2-[1-naphthalen-1-yl-4-[4-(5-trimethylsilyl-2-pyridinyl)-3H-dibenzofuran-3-id-2-yl]benzimidazol-2-yl]-5-phenylphenol;platinum
CID 157316083
2-[6-[2-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-4-yl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[6-[4-[naphthalen-1-yl(pyridin-2-yl)amino]-3H-dibenzofuran-3-id-2-yl]-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;platinum;2-[6-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol;2-[6-(4-pyridin-2-yl-3H-dibenzofuran-3-id-2-yl)-4-(2,4,6-trimethylphenyl)-2-pyridinyl]phenol
CID 159757651
2-(9-fluoro-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;2-phenylpyridine
CID 153464733

Frequently Asked Questions

What is the IUPAC name of iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The IUPAC name of iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine (CID 171438813) is iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine.
What is the SMILES notation for iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The canonical SMILES for iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is Oc1ccccc1-c1cccc(-c2[c-]cccc2)n1.[Ir].[c-]1c(-c2ccccn2)cc2c(oc3ccccc32)c1-c1ccccn1.
What is the InChIKey of iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
The InChIKey is FFFUJVJMLMJXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H13N2O.C17H12NO.Ir/c1-2-10-21-16(7-1)17-13-15(19-8-3-5-11-23-19)14-18(22(17)25-21)20-9-4-6-12-24-20;19-17-12-5-4-9-14(17)16-11-6-10-15(18-16)13-7-2-1-3-8-13;/h1-13H;1-7,9-12,19H;/q2*-1;.
What are the key properties of iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine?
iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine has a molecular weight of 759.87 g/mol, XLogP of 9.43, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(6-phenyl-2-pyridinyl)phenol;2-(2-pyridin-2-yl-3H-dibenzofuran-3-id-4-yl)pyridine is sourced from PubChem (CID 171438813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).