iridium;phenylbenzene

C24H16Ir-4 — CID 58599975

IUPACiridium;phenylbenzene
SMILES[Ir].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/2C12H8.Ir/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2*1-7,9H;/q2*-2;
InChIKeyYRJMXVUMBIRIHQ-UHFFFAOYSA-N
MW496.61 g/mol
LogP5.91
Rot. Bonds2

About iridium;phenylbenzene

iridium;phenylbenzene (PubChem CID 58599975) has the molecular formula C24H16Ir-4 and a molecular weight of 496.61 g/mol. Its IUPAC name is iridium;phenylbenzene.

Molecular Properties

Compound Nameiridium;phenylbenzene
PubChem CID58599975
Molecular FormulaC24H16Ir-4
Molecular Weight496.61 g/mol
Exact Mass497.09
IUPAC Nameiridium;phenylbenzene
SMILES[Ir].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1
InChIInChI=1S/2C12H8.Ir/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2*1-7,9H;/q2*-2;
InChIKeyYRJMXVUMBIRIHQ-UHFFFAOYSA-N
XLogP5.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.61
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

palladium(2+);phenylbenzene
CID 58471959
ethane;phenylbenzene;yttrium
CID 161119758
1-phenyl-4-[4-[4-(4-phenylbenzene-3,6-diid-1-yl)benzene-3,6-diid-1-yl]benzene-3,6-diid-1-yl]benzene-3,6-diide;pentakis(yttrium)
CID 153293138
chlororuthenium(2+);phenylbenzene;tris(trimethylphosphanium)
CID 58599965
1,3-di(phenyl)benzene-4,6-diide;tetrakis(yttrium)
CID 160503199
anthracene;benzene;naphthalene;phenylbenzene;bis(uranium(2+))
CID 159198266
ethane;phenylbenzene;pyrimidine;1,3,5-triazine;(yttrium)
CID 159116160
iridium;tris(2-phenylpyridine)
CID 23386734
2-phenylcyclohexa-1,3-dien-5-yne;yttrium
CID 164741490
3-chloro-6-phenylpyridazine;iridium
CID 23526287
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
chloronickel;2,6-di(phenyl)pyridine
CID 153499161

Frequently Asked Questions

What is the IUPAC name of iridium;phenylbenzene?
The IUPAC name of iridium;phenylbenzene (CID 58599975) is iridium;phenylbenzene.
What is the SMILES notation for iridium;phenylbenzene?
The canonical SMILES for iridium;phenylbenzene is [Ir].[c-]1ccccc1-c1[c-]cccc1.[c-]1ccccc1-c1[c-]cccc1.
What is the InChIKey of iridium;phenylbenzene?
The InChIKey is YRJMXVUMBIRIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H8.Ir/c2*1-3-7-11(8-4-1)12-9-5-2-6-10-12;/h2*1-7,9H;/q2*-2;.
What are the key properties of iridium;phenylbenzene?
iridium;phenylbenzene has a molecular weight of 496.61 g/mol, XLogP of 5.91, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;phenylbenzene is sourced from PubChem (CID 58599975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).