3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium

C41H34IrN2O-2 — CID 162709864

IUPAC3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium
SMILES[Ir].[c-]1cc2oc3ccccc3c2cc1-c1cc(CC2CCCC2)ccn1.[c-]1ccccc1-c1ncccc1Cc1ccccc1
InChIInChI=1S/C23H20NO.C18H14N.Ir/c1-2-6-16(5-1)13-17-11-12-24-21(14-17)18-9-10-23-20(15-18)19-7-3-4-8-22(19)25-23;1-3-8-15(9-4-1)14-17-12-7-13-19-18(17)16-10-5-2-6-11-16;/h3-4,7-8,10-12,14-16H,1-2,5-6,13H2;1-10,12-13H,14H2;/q2*-1;
InChIKeySMUFHXHAPNGMBW-UHFFFAOYSA-N
MW762.95 g/mol
LogP10.32
Rot. Bonds6

About 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium

3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium (PubChem CID 162709864) has the molecular formula C41H34IrN2O-2 and a molecular weight of 762.95 g/mol. Its IUPAC name is 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium.

Molecular Properties

Compound Name3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium
PubChem CID162709864
Molecular FormulaC41H34IrN2O-2
Molecular Weight762.95 g/mol
Exact Mass763.23
IUPAC Name3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium
SMILES[Ir].[c-]1cc2oc3ccccc3c2cc1-c1cc(CC2CCCC2)ccn1.[c-]1ccccc1-c1ncccc1Cc1ccccc1
InChIInChI=1S/C23H20NO.C18H14N.Ir/c1-2-6-16(5-1)13-17-11-12-24-21(14-17)18-9-10-23-20(15-18)19-7-3-4-8-22(19)25-23;1-3-8-15(9-4-1)14-17-12-7-13-19-18(17)16-10-5-2-6-11-16;/h3-4,7-8,10-12,14-16H,1-2,5-6,13H2;1-10,12-13H,14H2;/q2*-1;
InChIKeySMUFHXHAPNGMBW-UHFFFAOYSA-N
XLogP10.32
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500762.95
LogP ≤ 510.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4-benzyl-6-phenyl-3-pyridinyl)-trimethylsilane;4-(cyclopentylmethyl)-2-(8-phenyl-2H-dibenzofuran-2-id-3-yl)pyridine;iridium
CID 166577988
4-(cyclopentylmethyl)-2-(7-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712406
4-benzyl-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707908
4-benzyl-2-(3H-dibenzofuran-3-id-2-yl)pyridine;4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)pyridine;octakis(4-benzyl-2-phenylpyridine);4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-4-yl)-4-(2,2-dimethylpropyl)pyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methyl-5-phenylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methyl-4-phenylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-propan-2-ylpyridine;octakis(iridium)
CID 163533134
4-benzyl-2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;4-(cyclohexylmethyl)-5-methyl-2-phenylpyridine;iridium
CID 162707719
4-[dideuterio(phenyl)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenylpyridine
CID 162707434
6-[4-(cyclohexylmethyl)-2-pyridinyl]-2-methyl-7H-[1]benzofuro[2,3-b]pyridin-7-ide;iridium;trimethyl-[4-(2-methylpropyl)-6-phenyl-3-pyridinyl]silane
CID 155612679
CID 168766475
CID 168766475
3-[4-(cyclopentylmethyl)-2-pyridinyl]-2H-[1]benzofuro[2,3-b]pyridin-2-ide;(4-cyclopentyl-6-phenyl-3-pyridinyl)-trimethylsilane;iridium
CID 155612256
4-[cyclopentyl(dideuterio)methyl]-2-(8-phenyl-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;2-phenyl-4-(2-phenylpropan-2-yl)pyridine
CID 162710449
4-(cyclohexylmethyl)-2-(7-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577406
4-(cyclopentylmethyl)-2-(1-fluoro-3H-dibenzofuran-3-id-2-yl)pyridine;iridium;trimethyl-(6-phenyl-3-pyridinyl)silane
CID 164712623

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium?
The IUPAC name of 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium (CID 162709864) is 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium.
What is the SMILES notation for 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium?
The canonical SMILES for 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium is [Ir].[c-]1cc2oc3ccccc3c2cc1-c1cc(CC2CCCC2)ccn1.[c-]1ccccc1-c1ncccc1Cc1ccccc1.
What is the InChIKey of 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium?
The InChIKey is SMUFHXHAPNGMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20NO.C18H14N.Ir/c1-2-6-16(5-1)13-17-11-12-24-21(14-17)18-9-10-23-20(15-18)19-7-3-4-8-22(19)25-23;1-3-8-15(9-4-1)14-17-12-7-13-19-18(17)16-10-5-2-6-11-16;/h3-4,7-8,10-12,14-16H,1-2,5-6,13H2;1-10,12-13H,14H2;/q2*-1;.
What are the key properties of 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium?
3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium has a molecular weight of 762.95 g/mol, XLogP of 10.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-phenylpyridine;4-(cyclopentylmethyl)-2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium is sourced from PubChem (CID 162709864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).