iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole

C17H14IrN- — CID 162460311

IUPACiridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole
SMILESCc1ccccc1C1C=CN=C1c1[c-]cccc1.[Ir]
InChIInChI=1S/C17H14N.Ir/c1-13-7-5-6-10-15(13)16-11-12-18-17(16)14-8-3-2-4-9-14;/h2-8,10-12,16H,1H3;/q-1;
InChIKeyXGSRAWUQUZXYDT-UHFFFAOYSA-N
MW424.52 g/mol
LogP3.89
Rot. Bonds2

About iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole

iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole (PubChem CID 162460311) has the molecular formula C17H14IrN- and a molecular weight of 424.52 g/mol. Its IUPAC name is iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole.

Molecular Properties

Compound Nameiridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole
PubChem CID162460311
Molecular FormulaC17H14IrN-
Molecular Weight424.52 g/mol
Exact Mass425.08
IUPAC Nameiridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole
SMILESCc1ccccc1C1C=CN=C1c1[c-]cccc1.[Ir]
InChIInChI=1S/C17H14N.Ir/c1-13-7-5-6-10-15(13)16-11-12-18-17(16)14-8-3-2-4-9-14;/h2-8,10-12,16H,1H3;/q-1;
InChIKeyXGSRAWUQUZXYDT-UHFFFAOYSA-N
XLogP3.89
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.52
LogP ≤ 53.89
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-phenyl-3-(2,4,6-trimethylphenyl)-3H-pyrrole;pyridine-2-carboxylic acid
CID 162460303
iridium;phenylbenzene
CID 58599975
iridium;1-(2-methylphenyl)-5-phenyl-1,2,4-triazole
CID 140582460
ethane;phenylbenzene;yttrium
CID 161119758
palladium(2+);phenylbenzene
CID 58471959
iridium;1-methyl-2-phenylbenzene-3-ide;bis(2-phenylpyridine)
CID 168726074
methane;1-methyltriphenylene;phenylbenzene;bis(yttrium)
CID 172624920
iridium;2-methyl-5-(6-phenyl-3-pyridinyl)pyrimidine
CID 58261672
iridium;trimethyl-(4-methyl-6-phenyl-3-pyridinyl)germane
CID 166574327
2,6-dimethyl-3-[3-(2-methylphenyl)-5-phenyl-1,2,4-triazol-4-yl]pyridine;iridium
CID 161210926
3,5-dimethyl-2-phenylpyrazine;iridium
CID 58894530
1,5-dimethyl-3-phenyl-1,2,4-triazole;iridium
CID 140884032

Frequently Asked Questions

What is the IUPAC name of iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole?
The IUPAC name of iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole (CID 162460311) is iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole.
What is the SMILES notation for iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole?
The canonical SMILES for iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole is Cc1ccccc1C1C=CN=C1c1[c-]cccc1.[Ir].
What is the InChIKey of iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole?
The InChIKey is XGSRAWUQUZXYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N.Ir/c1-13-7-5-6-10-15(13)16-11-12-18-17(16)14-8-3-2-4-9-14;/h2-8,10-12,16H,1H3;/q-1;.
What are the key properties of iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole?
iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole has a molecular weight of 424.52 g/mol, XLogP of 3.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;3-(2-methylphenyl)-2-phenyl-3H-pyrrole is sourced from PubChem (CID 162460311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).