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

C59H36F6IrN2-2 — CID 58793155

IUPAC2-(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
SMILESFC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C46H30N.C13H6F6N.Ir/c1-3-13-37-30(9-1)11-7-15-39(37)32-20-22-41-42-23-21-33(40-16-8-12-31-10-2-4-14-38(31)40)27-44(42)46(43(41)26-32)28-35-19-18-34(25-36(35)29-46)45-17-5-6-24-47-45;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-17,19-27H,28-29H2;1-4,6-7H;/q2*-1;
InChIKeyOCVLQSDFKCXYLR-UHFFFAOYSA-N
MW1079.16 g/mol
LogP15.84
Rot. Bonds4

About 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

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 (PubChem CID 58793155) has the molecular formula C59H36F6IrN2-2 and a molecular weight of 1079.16 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID58793155
Molecular FormulaC59H36F6IrN2-2
Molecular Weight1079.16 g/mol
Exact Mass1079.24
IUPAC Name2-(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
SMILESFC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21
InChIInChI=1S/C46H30N.C13H6F6N.Ir/c1-3-13-37-30(9-1)11-7-15-39(37)32-20-22-41-42-23-21-33(40-16-8-12-31-10-2-4-14-38(31)40)27-44(42)46(43(41)26-32)28-35-19-18-34(25-36(35)29-46)45-17-5-6-24-47-45;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-17,19-27H,28-29H2;1-4,6-7H;/q2*-1;
InChIKeyOCVLQSDFKCXYLR-UHFFFAOYSA-N
XLogP15.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms68
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001079.16
LogP ≤ 515.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is FC(F)(F)c1cc(-c2[c-]cccc2)nc(C(F)(F)F)c1.[Ir].[c-]1cc2c(cc1-c1ccccn1)CC1(C2)c2cc(-c3cccc4ccccc34)ccc2-c2ccc(-c3cccc4ccccc34)cc21.
What is the InChIKey of 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?
The InChIKey is OCVLQSDFKCXYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H30N.C13H6F6N.Ir/c1-3-13-37-30(9-1)11-7-15-39(37)32-20-22-41-42-23-21-33(40-16-8-12-31-10-2-4-14-38(31)40)27-44(42)46(43(41)26-32)28-35-19-18-34(25-36(35)29-46)45-17-5-6-24-47-45;14-12(15,16)9-6-10(8-4-2-1-3-5-8)20-11(7-9)13(17,18)19;/h1-17,19-27H,28-29H2;1-4,6-7H;/q2*-1;.
What are the key properties of 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?
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 has a molecular weight of 1079.16 g/mol, XLogP of 15.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 58793155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).