iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine

C39H24F6IrN2-2 — CID 58793129

IUPACiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
SMILESFC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H18N.C13H6F6N.Ir/c1-3-9-23-21(7-1)22-8-2-4-10-24(22)26(23)16-19-13-12-18(15-20(19)17-26)25-11-5-6-14-27-25;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-11,13-15H,16-17H2;1-4,6-7H;/q2*-1;
InChIKeyVUBAFQDXAFERPP-UHFFFAOYSA-N
MW826.84 g/mol
LogP10.20
Rot. Bonds2

About iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine

iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine (PubChem CID 58793129) has the molecular formula C39H24F6IrN2-2 and a molecular weight of 826.84 g/mol. Its IUPAC name is iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine.

Molecular Properties

Compound Nameiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
PubChem CID58793129
Molecular FormulaC39H24F6IrN2-2
Molecular Weight826.84 g/mol
Exact Mass827.15
IUPAC Nameiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
SMILESFC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2ccccc2-c2ccccc21
InChIInChI=1S/C26H18N.C13H6F6N.Ir/c1-3-9-23-21(7-1)22-8-2-4-10-24(22)26(23)16-19-13-12-18(15-20(19)17-26)25-11-5-6-14-27-25;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-11,13-15H,16-17H2;1-4,6-7H;/q2*-1;
InChIKeyVUBAFQDXAFERPP-UHFFFAOYSA-N
XLogP10.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500826.84
LogP ≤ 510.20
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

iridium;2-phenylpyridine;2-phenylpyridine;2-N',2-N',7-N',7-N'-tetraphenyl-5-pyridin-2-ylspiro[1,3-dihydroindene-2,9'-fluorene]-2',7'-diamine;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 161283533
iridium;2-N',2-N',7-N',7-N'-tetramethyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793195
9-[2-[4-[7'-[4-(2-carbazol-9-ylethyl)phenyl]-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2'-yl]phenyl]ethyl]carbazole;iridium;2-phenylpyridine
CID 58793057
iridium;2-N',2-N',7-N',7-N'-tetraphenyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793250
dichloroiridium(1+);2-(2',7'-dimethylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine
CID 58793209
iridium;tris(2-phenylpyridine)
CID 23386734
2-(5',5'-dimethyl-2',8'-dinaphthalen-2-ylspiro[3,6-dihydro-1H-inden-6-ide-2,10'-benzo[b][1]benzosiline]-5-yl)pyridine;iridium
CID 58793115
carbanide;bis(iridium);bis(2-phenylpyridine);2,7,9,9-tetramethylfluorene
CID 162045082
2-(4-fluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine;iridium;2-phenylpyridine
CID 162483808
(Z)-4-hydroxypent-3-en-2-one;iridium;2-N',2-N',7-N',7-N'-tetramethyl-6-pyridin-2-ylspiro[3,5-dihydro-1H-inden-5-ide-2,9'-fluorene]-2',7'-diamine
CID 58793146
8-tert-butyl-1-(9,9-dimethyl-3H-fluoren-3-id-2-yl)naphtho[2,1-f]isoquinoline;iridium;2-phenylpyridine
CID 176775809
CID 159558057
CID 159558057

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine?
The IUPAC name of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine (CID 58793129) is iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine.
What is the SMILES notation for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine?
The canonical SMILES for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine is FC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2ccccc2-c2ccccc21.
What is the InChIKey of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine?
The InChIKey is VUBAFQDXAFERPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N.C13H6F6N.Ir/c1-3-9-23-21(7-1)22-8-2-4-10-24(22)26(23)16-19-13-12-18(15-20(19)17-26)25-11-5-6-14-27-25;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-11,13-15H,16-17H2;1-4,6-7H;/q2*-1;.
What are the key properties of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine?
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine has a molecular weight of 826.84 g/mol, XLogP of 10.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine is sourced from PubChem (CID 58793129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).