iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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

C43H34F6IrN4-2 — CID 58793154

IUPACiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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
SMILESCN(C)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(N(C)C)ccc1-2.FC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir]
InChIInChI=1S/C30H28N3.C13H6F6N.Ir/c1-32(2)23-10-12-25-26-13-11-24(33(3)4)17-28(26)30(27(25)16-23)18-21-9-8-20(15-22(21)19-30)29-7-5-6-14-31-29;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h5-7,9-17H,18-19H2,1-4H3;1-4,6-7H;/q2*-1;
InChIKeyBXHLAJJDTVRJMZ-UHFFFAOYSA-N
MW912.98 g/mol
LogP10.33
Rot. Bonds4

About iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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

iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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 (PubChem CID 58793154) has the molecular formula C43H34F6IrN4-2 and a molecular weight of 912.98 g/mol. Its IUPAC name is iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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.

Molecular Properties

Compound Nameiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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
PubChem CID58793154
Molecular FormulaC43H34F6IrN4-2
Molecular Weight912.98 g/mol
Exact Mass913.23
IUPAC Nameiridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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
SMILESCN(C)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(N(C)C)ccc1-2.FC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir]
InChIInChI=1S/C30H28N3.C13H6F6N.Ir/c1-32(2)23-10-12-25-26-13-11-24(33(3)4)17-28(26)30(27(25)16-23)18-21-9-8-20(15-22(21)19-30)29-7-5-6-14-31-29;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h5-7,9-17H,18-19H2,1-4H3;1-4,6-7H;/q2*-1;
InChIKeyBXHLAJJDTVRJMZ-UHFFFAOYSA-N
XLogP10.33
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500912.98
LogP ≤ 510.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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 with MolForge

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Related Compounds

4-Tert-butyl-2-(4-tert-butyl-2-pyridinyl)pyridine;bis(2-(2,4-difluorobenzene-6-id-1-yl)-5-(trifluoromethyl)pyridine);iridium
CID 170518286
4-Tert-butyl-2-[3-(4-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)benzene-2-id-1-yl]pyridine;2-(4-fluorobenzene-6-id-1-yl)pyridine;iridium(3+);cyanide
CID 57660656
bis(N,N-dimethyl-2-[5-(trifluoromethyl)-2-(2,4,6-trimethylphenyl)benzene-6-id-1-yl]pyridin-4-amine);platinum(2+)
CID 57872867
bis(2-[2-carbazol-9-yl-3,5-bis(trifluoromethyl)benzene-6-id-1-yl]-N,N-dimethylpyridin-4-amine);platinum(2+)
CID 57873264
2-[3-Methyl-4-[2-methyl-6-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine;2-[4-[2-methyl-6-(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine;platinum(2+)
CID 58401567
Iridium;2-phenylpyridine;2-[3-[2-(trifluoromethyl)phenyl]benzene-6-id-1-yl]pyridine
CID 58658179
2-(2',7'-diphenylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793047
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;2-spiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-ylpyridine
CID 58793129
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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 58793134
2-(2',7'-dinaphthalen-1-ylspiro[3,6-dihydro-1H-inden-6-ide-2,9'-fluorene]-5-yl)pyridine;iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine
CID 58793155
Bis(2-[4-[2,6-bis(trifluoromethyl)phenyl]-3-(trifluoromethyl)benzene-6-id-1-yl]pyridine);platinum(2+)
CID 58939567
N-(4-fluorophenyl)-N-[7-[(E)-2-[7-[(E)-2-[7-(4-fluoro-N-pyridin-3-ylanilino)-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]ethenyl]-9,9-dimethylfluoren-2-yl]pyridin-3-amine
CID 59245961

Frequently Asked Questions

What is the IUPAC name of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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?
The IUPAC name of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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 58793154) is iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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.
What is the SMILES notation for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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?
The canonical SMILES for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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 is CN(C)c1ccc2c(c1)C1(Cc3c[c-]c(-c4ccccn4)cc3C1)c1cc(N(C)C)ccc1-2.FC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].
What is the InChIKey of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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?
The InChIKey is BXHLAJJDTVRJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N3.C13H6F6N.Ir/c1-32(2)23-10-12-25-26-13-11-24(33(3)4)17-28(26)30(27(25)16-23)18-21-9-8-20(15-22(21)19-30)29-7-5-6-14-31-29;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h5-7,9-17H,18-19H2,1-4H3;1-4,6-7H;/q2*-1;.
What are the key properties of iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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?
iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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 has a molecular weight of 912.98 g/mol, XLogP of 10.33, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for iridium;2-phenyl-4,6-bis(trifluoromethyl)pyridine;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 is sourced from PubChem (CID 58793154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).