iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)

C35H26IrN2-4 — CID 168726074

IUPACiridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
SMILESCc1ccc[c-]c1-c1[c-]cccc1.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H10.2C11H8N.Ir/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8H,1H3;2*1-6,8-9H;/q-2;2*-1;
InChIKeyMUJTUZNJLPHTKR-UHFFFAOYSA-N
MW666.82 g/mol
LogP8.36
Rot. Bonds3

About iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)

iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine) (PubChem CID 168726074) has the molecular formula C35H26IrN2-4 and a molecular weight of 666.82 g/mol. Its IUPAC name is iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine).

Molecular Properties

Compound Nameiridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
PubChem CID168726074
Molecular FormulaC35H26IrN2-4
Molecular Weight666.82 g/mol
Exact Mass667.17
IUPAC Nameiridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
SMILESCc1ccc[c-]c1-c1[c-]cccc1.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1
InChIInChI=1S/C13H10.2C11H8N.Ir/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8H,1H3;2*1-6,8-9H;/q-2;2*-1;
InChIKeyMUJTUZNJLPHTKR-UHFFFAOYSA-N
XLogP8.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500666.82
LogP ≤ 58.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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dichloroiridium(1+);tetrakis(2-phenylpyridine)
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formic acid;bis(iridium);bis(2-phenylpyridine)
CID 58163235
iridium;2-(2-methylphenyl)-4-phenylpyridine;2-phenylpyridine
CID 166502440
iridium;2-phenylpyridine;pyridine-2-carboxylic acid
CID 23568206
2-phenylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium(2+);hexafluorophosphate
CID 10963599
4-ethyl-2-(4-ethyl-2-pyridinyl)pyridine;iridium;bis(2-phenylpyridine)
CID 172511088
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072

Frequently Asked Questions

What is the IUPAC name of iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)?
The IUPAC name of iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine) (CID 168726074) is iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine).
What is the SMILES notation for iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)?
The canonical SMILES for iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine) is Cc1ccc[c-]c1-c1[c-]cccc1.[Ir].[c-]1ccccc1-c1ccccn1.[c-]1ccccc1-c1ccccn1.
What is the InChIKey of iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)?
The InChIKey is MUJTUZNJLPHTKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10.2C11H8N.Ir/c1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;2*1-2-6-10(7-3-1)11-8-4-5-9-12-11;/h2-8H,1H3;2*1-6,8-9H;/q-2;2*-1;.
What are the key properties of iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)?
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine) has a molecular weight of 666.82 g/mol, XLogP of 8.36, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine) is sourced from PubChem (CID 168726074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).