iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine

C21H14IrN- — CID 153288374

IUPACiridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine
SMILES[Ir].[c-]1cc(-c2ccccc2)c2ccccc2c1-c1ccccn1
InChIInChI=1S/C21H14N.Ir/c1-2-8-16(9-3-1)17-13-14-20(21-12-6-7-15-22-21)19-11-5-4-10-18(17)19;/h1-13,15H;/q-1;
InChIKeyUVAVSMOPAFPVFA-UHFFFAOYSA-N
MW472.57 g/mol
LogP5.37
Rot. Bonds2

About iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine

iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine (PubChem CID 153288374) has the molecular formula C21H14IrN- and a molecular weight of 472.57 g/mol. Its IUPAC name is iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine.

Molecular Properties

Compound Nameiridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine
PubChem CID153288374
Molecular FormulaC21H14IrN-
Molecular Weight472.57 g/mol
Exact Mass473.08
IUPAC Nameiridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine
SMILES[Ir].[c-]1cc(-c2ccccc2)c2ccccc2c1-c1ccccn1
InChIInChI=1S/C21H14N.Ir/c1-2-8-16(9-3-1)17-13-14-20(21-12-6-7-15-22-21)19-11-5-4-10-18(17)19;/h1-13,15H;/q-1;
InChIKeyUVAVSMOPAFPVFA-UHFFFAOYSA-N
XLogP5.37
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.57
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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5,8-diphenyl-2,3-dipyridin-2-ylquinoxaline
CID 58161745
2,6-difluoro-3-pyridin-2-yl-4H-pyridin-4-ide;iridium
CID 177432309
bis(2-(2-naphthalen-1-ylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939493
2-chloro-4-phenyl-3-pyridin-2-ylpyridine
CID 174953397
hydrazine;2-phenylpyridine
CID 158673997
iridium;2-(1-phenyl-3H-dibenzofuran-3-id-4-yl)pyridine;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)silane
CID 166577541
bis(2-(4-phenylbenzene-6-id-1-yl)pyridine);platinum(2+)
CID 58939535
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-[4-ethenyl-2,3-bis(2-pyridin-2-ylphenyl)benzene-6-id-1-yl]pyridine;iridium
CID 87088563

Frequently Asked Questions

What is the IUPAC name of iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine?
The IUPAC name of iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine (CID 153288374) is iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine.
What is the SMILES notation for iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine?
The canonical SMILES for iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine is [Ir].[c-]1cc(-c2ccccc2)c2ccccc2c1-c1ccccn1.
What is the InChIKey of iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine?
The InChIKey is UVAVSMOPAFPVFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N.Ir/c1-2-8-16(9-3-1)17-13-14-20(21-12-6-7-15-22-21)19-11-5-4-10-18(17)19;/h1-13,15H;/q-1;.
What are the key properties of iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine?
iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine has a molecular weight of 472.57 g/mol, XLogP of 5.37, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-(4-phenyl-2H-naphthalen-2-id-1-yl)pyridine is sourced from PubChem (CID 153288374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).