2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium

C16H18IrN- — CID 58162023

IUPAC2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
SMILESCC(C)(C)Cc1cc[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C16H18N.Ir/c1-16(2,3)12-13-7-6-8-14(11-13)15-9-4-5-10-17-15;/h4-7,9-11H,12H2,1-3H3;/q-1;
InChIKeyLIUHWWWIZAYITG-UHFFFAOYSA-N
MW416.54 g/mol
LogP4.13
Rot. Bonds2

About 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium

2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium (PubChem CID 58162023) has the molecular formula C16H18IrN- and a molecular weight of 416.54 g/mol. Its IUPAC name is 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium.

Molecular Properties

Compound Name2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
PubChem CID58162023
Molecular FormulaC16H18IrN-
Molecular Weight416.54 g/mol
Exact Mass417.11
IUPAC Name2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium
SMILESCC(C)(C)Cc1cc[c-]c(-c2ccccn2)c1.[Ir]
InChIInChI=1S/C16H18N.Ir/c1-16(2,3)12-13-7-6-8-14(11-13)15-9-4-5-10-17-15;/h4-7,9-11H,12H2,1-3H3;/q-1;
InChIKeyLIUHWWWIZAYITG-UHFFFAOYSA-N
XLogP4.13
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.54
LogP ≤ 54.13
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

osmium(1+);(3-pyridin-2-ylbenzene-4-id-1-yl)methanamine;bis(2-pyridin-2-ylpyridine)
CID 176846109
2-[3-[4-(2,2-dimethylpropyl)phenyl]benzene-6-id-1-yl]pyridine;tetrakis(iridium);2-[3-(4-methylphenyl)benzene-6-id-1-yl]pyridine;bis(2-[3-[4-(2-methylpropyl)phenyl]benzene-6-id-1-yl]pyridine);2-(3-phenylbenzene-6-id-1-yl)pyridine;tris(2-phenylpyridine)
CID 160708455
iridium;2-(3-methoxybenzene-6-id-1-yl)pyridine
CID 59865387
iridium;triethyl-(3-pyridin-2-ylbenzene-4-id-1-yl)phosphanium
CID 59782033
2-[3-[3,5-bis[3,5-bis[4-(2,4,4-trimethylpentan-2-yl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine;iridium
CID 140720975
4-(2,2-dimethylpropyl)-2-phenylpyridine;iridium;2-[2-(2-phenylpropan-2-yl)benzene-6-id-1-yl]pyridine
CID 162709558
4-tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;iridium;bis(3-pyridin-2-ylbenzene-4-id-1-ol)
CID 164754143
9-[4-[4-[3,6-bis(2,2-dimethylpropyl)carbazol-9-yl]phenyl]phenyl]-3,6-bis(2,2-dimethylpropyl)carbazole;9-[4-(4-carbazol-9-ylphenyl)phenyl]carbazole;bis(iridium(3+));methane;hexakis(2-phenylpyridine)
CID 162159905
10-[4-(2,2-dimethylpropyl)-2-pyridinyl]-3-methyl-9H-[1]benzofuro[2,3-f]quinolin-9-ide;iridium;2-phenylpyridine
CID 172522984
iridium;tris(2-phenylpyridine)
CID 23386734
iridium;2-[3-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]benzene-6-id-1-yl]pyridine
CID 171461304
iridium;2-(3-methylbenzene-6-id-1-yl)pyridine;2-(2-methylphenyl)pyridine
CID 166502338

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium?
The IUPAC name of 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium (CID 58162023) is 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium.
What is the SMILES notation for 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium?
The canonical SMILES for 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium is CC(C)(C)Cc1cc[c-]c(-c2ccccn2)c1.[Ir].
What is the InChIKey of 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium?
The InChIKey is LIUHWWWIZAYITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N.Ir/c1-16(2,3)12-13-7-6-8-14(11-13)15-9-4-5-10-17-15;/h4-7,9-11H,12H2,1-3H3;/q-1;.
What are the key properties of 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium?
2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium has a molecular weight of 416.54 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2,2-dimethylpropyl)benzene-6-id-1-yl]pyridine;iridium is sourced from PubChem (CID 58162023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).