iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide

C40H35IrN3-2 — CID 59500281

IUPACiridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc3c4ccccc4n(CC(C)C)c3c2)nc1.[Ir]
InChIInChI=1S/C22H21N2.C18H14N.Ir/c1-15(2)14-24-21-7-5-4-6-18(21)19-10-9-17(12-22(19)24)20-11-8-16(3)13-23-20;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;/h4-8,10-13,15H,14H2,1-3H3;2-10,12-13H,1H3;/q2*-1;
InChIKeyLBHDBWCZFJXBPM-UHFFFAOYSA-N
MW749.96 g/mol
LogP10.14
Rot. Bonds5

About iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide

iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide (PubChem CID 59500281) has the molecular formula C40H35IrN3-2 and a molecular weight of 749.96 g/mol. Its IUPAC name is iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide.

Molecular Properties

Compound Nameiridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide
PubChem CID59500281
Molecular FormulaC40H35IrN3-2
Molecular Weight749.96 g/mol
Exact Mass750.25
IUPAC Nameiridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide
SMILESCc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc3c4ccccc4n(CC(C)C)c3c2)nc1.[Ir]
InChIInChI=1S/C22H21N2.C18H14N.Ir/c1-15(2)14-24-21-7-5-4-6-18(21)19-10-9-17(12-22(19)24)20-11-8-16(3)13-23-20;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;/h4-8,10-13,15H,14H2,1-3H3;2-10,12-13H,1H3;/q2*-1;
InChIKeyLBHDBWCZFJXBPM-UHFFFAOYSA-N
XLogP10.14
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500749.96
LogP ≤ 510.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide with MolForge

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Related Compounds

4-ethyl-5-phenyl-2-phenylpyridine;iridium;9-(2-methylpropyl)-2-pyridin-2-yl-3H-carbazol-3-ide
CID 59500290
iridium(3+);9-(2-methylpropyl)-2-(4-methyl-2-pyridinyl)-3H-carbazol-3-ide;bis(2-phenylpyridine)
CID 59500188
2-(3-benzyl-4-methylbenzene-6-id-1-yl)-4-methyl-5-phenylpyridine;iridium;5-methyl-2-phenylpyridine
CID 162709141
iridium;1-methanidyl-2-phenylpyridin-1-ium;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide;2-phenylpyridine
CID 170925036
2-(2H-dibenzofuran-2-id-3-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-4-methylpyridine;2-(3H-dibenzofuran-3-id-2-yl)-5-methylpyridine;2-(3H-dibenzofuran-3-id-4-yl)-5-methylpyridine;tetrakis(iridium);tetrakis(4-methyl-5-phenyl-2-phenylpyridine)
CID 162181234
iridium(3+);9-(2-methylpropyl)-3-pyridin-2-yl-2H-carbazol-2-ide;bis(2-phenylpyridine)
CID 59500152
iridium;methanol;4-methyl-5-phenyl-2-phenylpyridine
CID 58435106
2-(3H-dibenzofuran-3-id-2-yl)pyridine;iridium;4-methyl-5-phenyl-2-phenylpyridine
CID 59500159
pentakis(iridium);bis(4-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine);5-methyl-2-(4-phenylbenzene-6-id-1-yl)pyridine;4-methyl-5-phenyl-2-phenylpyridine;2-methyl-6-phenylpyridine;2-(4-phenylbenzene-6-id-1-yl)pyridine;tetrakis(2-phenylpyridine)
CID 162204735
4-ethyl-1-methanidyl-2-(2-methanidylphenyl)-5-phenylpyridin-1-ium;bis(4-ethyl-5-phenyl-2-phenylpyridine);bis(iridium);iridium(3+);9-(2-methylpropyl)-1-(4-methyl-2-pyridinyl)-2H-carbazol-2-ide;9-(2-methylpropyl)-2-pyridin-2-yl-3H-carbazol-3-ide;9-(2-methylpropyl)-3-pyridin-2-yl-2H-carbazol-2-ide
CID 158602905
iridium;4-methyl-5-phenyl-2-phenylpyridine;phenylbenzene;2-phenylpyridine
CID 164769072
iridium;5-methyl-2-phenylpyridine;8-(4-methyl-5-phenyl-2-pyridinyl)-2-(2-phenylpropan-2-yl)-7H-[1]benzofuro[3,2-b]pyridin-7-ide
CID 162708983

Frequently Asked Questions

What is the IUPAC name of iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide?
The IUPAC name of iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide (CID 59500281) is iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide.
What is the SMILES notation for iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide?
The canonical SMILES for iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide is Cc1cc(-c2[c-]cccc2)ncc1-c1ccccc1.Cc1ccc(-c2[c-]cc3c4ccccc4n(CC(C)C)c3c2)nc1.[Ir].
What is the InChIKey of iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide?
The InChIKey is LBHDBWCZFJXBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N2.C18H14N.Ir/c1-15(2)14-24-21-7-5-4-6-18(21)19-10-9-17(12-22(19)24)20-11-8-16(3)13-23-20;1-14-12-18(16-10-6-3-7-11-16)19-13-17(14)15-8-4-2-5-9-15;/h4-8,10-13,15H,14H2,1-3H3;2-10,12-13H,1H3;/q2*-1;.
What are the key properties of iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide?
iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide has a molecular weight of 749.96 g/mol, XLogP of 10.14, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;4-methyl-5-phenyl-2-phenylpyridine;9-(2-methylpropyl)-2-(5-methyl-2-pyridinyl)-3H-carbazol-3-ide is sourced from PubChem (CID 59500281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).