iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine

C34H30IrN2O2-2 — CID 170514414

IUPACiridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine
SMILESCC(O)CC(C)O.[Ir].[c-]1ccccc1[C@@]1(c2cccc(-c3ccccn3)n2)c2[c-]cccc2-c2ccccc21
InChIInChI=1S/C29H18N2.C5H12O2.Ir/c1-2-11-21(12-3-1)29(28-19-10-18-27(31-28)26-17-8-9-20-30-26)24-15-6-4-13-22(24)23-14-5-7-16-25(23)29;1-4(6)3-5(2)7;/h1-11,13-15,17-20H;4-7H,3H2,1-2H3;/q-2;;/t29-;;/m0../s1
InChIKeySSSDXRKNPDDEJW-UJXPALLWSA-N
MW690.84 g/mol
LogP6.24
Rot. Bonds5

About iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine

iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine (PubChem CID 170514414) has the molecular formula C34H30IrN2O2-2 and a molecular weight of 690.84 g/mol. Its IUPAC name is iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine.

Molecular Properties

Compound Nameiridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine
PubChem CID170514414
Molecular FormulaC34H30IrN2O2-2
Molecular Weight690.84 g/mol
Exact Mass691.19
IUPAC Nameiridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine
SMILESCC(O)CC(C)O.[Ir].[c-]1ccccc1[C@@]1(c2cccc(-c3ccccn3)n2)c2[c-]cccc2-c2ccccc21
InChIInChI=1S/C29H18N2.C5H12O2.Ir/c1-2-11-21(12-3-1)29(28-19-10-18-27(31-28)26-17-8-9-20-30-26)24-15-6-4-13-22(24)23-14-5-7-16-25(23)29;1-4(6)3-5(2)7;/h1-11,13-15,17-20H;4-7H,3H2,1-2H3;/q-2;;/t29-;;/m0../s1
InChIKeySSSDXRKNPDDEJW-UJXPALLWSA-N
XLogP6.24
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.84
LogP ≤ 56.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

iridium;pentane-2,4-diol;(9S)-9-phenyl-9-(3-pyridin-2-ylbenzene-2-id-1-yl)indeno[2,1-b]pyridine
CID 170514487
iridium;2-(phenyliminomethyl)phenol;2-phenyl-6-[(9R)-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]pyridine
CID 170514343
iridium;(9R)-9-phenyl-9-(6-phenyl-2-pyridinyl)indeno[2,1-b]pyridine;pyridine-2-carboxylic acid
CID 170514326
2-(4-tert-butyl-2-pyridinyl)-6-[9-[6-(4-tert-butyl-2-pyridinyl)-2-pyridinyl]fluoren-9-yl]pyridine
CID 162425382
potassium 9,9-di(phenyl)fluorene
CID 164818801
9,9-di(phenyl)fluorene;1,3,5-trimethylbenzene;yttrium
CID 161215177
iridium;non-8-ene-2,4-diol;bis(2-phenylpyridine)
CID 59748579
iridium;2-[(9S)-9-[3-[3-(1-methyl-3-phenyl-2H-imidazol-1-ium-2-id-1-yl)-2H-imidazol-2-id-1-yl]benzene-2-id-1-yl]-1H-fluoren-1-id-9-yl]pyridine
CID 170514495
2-(3-tert-butylbenzene-6-id-1-yl)-6-[9-[6-(3-tert-butylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;2-(3,4-dimethylbenzene-6-id-1-yl)-6-[9-[6-(3,4-dimethylbenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]pyridine;platinum;bis(platinum(2+));2-pyridin-2-yl-6-[9-(6-pyridin-2-yl-2-pyridinyl)fluoren-9-yl]pyridine
CID 158029976
14-(9-hexyl-2,7-dimethylfluoren-9-yl)tetradecane-2,4-diol;iridium;2-phenylpyridine
CID 58713545
iridium(3+);2-(5-methyl-1,4-diaza-2-azanidacyclopenta-3,5-dien-3-yl)pyridine;1-phenyl-3-[(9R)-9-pyridin-2-yl-1H-fluoren-1-id-9-yl]isoquinoline
CID 170514254
3-(9,9-dimethylfluoren-2-yl)-5-phenyl-2-phenylpyrazine;iridium;pentane-2,4-diol
CID 58991473

Frequently Asked Questions

What is the IUPAC name of iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine?
The IUPAC name of iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine (CID 170514414) is iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine.
What is the SMILES notation for iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine?
The canonical SMILES for iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine is CC(O)CC(C)O.[Ir].[c-]1ccccc1[C@@]1(c2cccc(-c3ccccn3)n2)c2[c-]cccc2-c2ccccc21.
What is the InChIKey of iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine?
The InChIKey is SSSDXRKNPDDEJW-UJXPALLWSA-N. The full InChI is InChI=1S/C29H18N2.C5H12O2.Ir/c1-2-11-21(12-3-1)29(28-19-10-18-27(31-28)26-17-8-9-20-30-26)24-15-6-4-13-22(24)23-14-5-7-16-25(23)29;1-4(6)3-5(2)7;/h1-11,13-15,17-20H;4-7H,3H2,1-2H3;/q-2;;/t29-;;/m0../s1.
What are the key properties of iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine?
iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine has a molecular weight of 690.84 g/mol, XLogP of 6.24, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;pentane-2,4-diol;2-[(9R)-9-phenyl-1H-fluoren-1-id-9-yl]-6-pyridin-2-ylpyridine is sourced from PubChem (CID 170514414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).