iridium;2-methyl-3-phenyl-6-phenylpyridine

C18H14IrN- — CID 58435059

IUPACiridium;2-methyl-3-phenyl-6-phenylpyridine
SMILESCc1nc(-c2[c-]cccc2)ccc1-c1ccccc1.[Ir]
InChIInChI=1S/C18H14N.Ir/c1-14-17(15-8-4-2-5-9-15)12-13-18(19-14)16-10-6-3-7-11-16;/h2-10,12-13H,1H3;/q-1;
InChIKeyDIBKOVXCSGZBOZ-UHFFFAOYSA-N
MW436.53 g/mol
LogP4.52
Rot. Bonds2

About iridium;2-methyl-3-phenyl-6-phenylpyridine

iridium;2-methyl-3-phenyl-6-phenylpyridine (PubChem CID 58435059) has the molecular formula C18H14IrN- and a molecular weight of 436.53 g/mol. Its IUPAC name is iridium;2-methyl-3-phenyl-6-phenylpyridine.

Molecular Properties

Compound Nameiridium;2-methyl-3-phenyl-6-phenylpyridine
PubChem CID58435059
Molecular FormulaC18H14IrN-
Molecular Weight436.53 g/mol
Exact Mass437.08
IUPAC Nameiridium;2-methyl-3-phenyl-6-phenylpyridine
SMILESCc1nc(-c2[c-]cccc2)ccc1-c1ccccc1.[Ir]
InChIInChI=1S/C18H14N.Ir/c1-14-17(15-8-4-2-5-9-15)12-13-18(19-14)16-10-6-3-7-11-16;/h2-10,12-13H,1H3;/q-1;
InChIKeyDIBKOVXCSGZBOZ-UHFFFAOYSA-N
XLogP4.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.53
LogP ≤ 54.52
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

iridium;2-methyl-3-phenyl-6-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 166495302
iridium;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine
CID 58435058
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
4,5-dimethyl-2-(3-methylbenzene-6-id-1-yl)pyridine;tetrakis(iridium);2-methyl-3-phenyl-6-phenylpyridine;5-(2-methylpropyl)-2-phenylpyridine;5-phenyl-2-phenylpyrazine;tris(2-phenylpyridine)
CID 159379834
iridium;5-methyl-4-phenyl-2-phenylpyridine;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine
CID 153412535
iridium;pentane-2,4-diol;5-phenyl-2-phenylpyrazine
CID 58991487
10H-benzo[h]quinolin-10-ide;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 140719052
iridium;4-methyl-2-phenyl-5-(trideuteriomethyl)pyridine;5-phenyl-2-phenyl-4-(trideuteriomethyl)pyridine
CID 153412555
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
2,4-bis[2-(4-methylphenyl)pyrimidin-5-yl]-6-(6-phenyl-3-pyridinyl)-1,3,5-triazine;iridium
CID 58261700
carbanide;iridium;2-phenylquinoline;yttrium
CID 59824492
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672

Frequently Asked Questions

What is the IUPAC name of iridium;2-methyl-3-phenyl-6-phenylpyridine?
The IUPAC name of iridium;2-methyl-3-phenyl-6-phenylpyridine (CID 58435059) is iridium;2-methyl-3-phenyl-6-phenylpyridine.
What is the SMILES notation for iridium;2-methyl-3-phenyl-6-phenylpyridine?
The canonical SMILES for iridium;2-methyl-3-phenyl-6-phenylpyridine is Cc1nc(-c2[c-]cccc2)ccc1-c1ccccc1.[Ir].
What is the InChIKey of iridium;2-methyl-3-phenyl-6-phenylpyridine?
The InChIKey is DIBKOVXCSGZBOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N.Ir/c1-14-17(15-8-4-2-5-9-15)12-13-18(19-14)16-10-6-3-7-11-16;/h2-10,12-13H,1H3;/q-1;.
What are the key properties of iridium;2-methyl-3-phenyl-6-phenylpyridine?
iridium;2-methyl-3-phenyl-6-phenylpyridine has a molecular weight of 436.53 g/mol, XLogP of 4.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-methyl-3-phenyl-6-phenylpyridine is sourced from PubChem (CID 58435059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).