2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C105H75F5Ir2N8O3Pt-2 — CID 158870069

IUPAC2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCCCCCOc1cc2c(cc1OCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Ir].[Pt+2]
InChIInChI=1S/C48H46NO2.C37H18F2N4.C20H11F3N3O.2Ir.Pt/c1-5-7-13-24-50-46-30-40-38-26-32(3)33(4)27-43(38)48(44(40)31-47(46)51-25-14-8-6-2)41-19-10-9-18-37(41)39-29-35(21-22-42(39)48)34-16-15-17-36(28-34)45-20-11-12-23-49-45;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;;;/h9-12,15-16,18-23,26-31H,5-8,13-14,24-25H2,1-4H3;2-15,18-21H;1-3,5-12H;;;/q-1;-2;-1;;;+2
InChIKeyWOYFISRTQUYDGJ-UHFFFAOYSA-N
MW2171.31 g/mol
LogP26.07
Rot. Bonds19

About 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 158870069) has the molecular formula C105H75F5Ir2N8O3Pt-2 and a molecular weight of 2171.31 g/mol. Its IUPAC name is 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID158870069
Molecular FormulaC105H75F5Ir2N8O3Pt-2
Molecular Weight2171.31 g/mol
Exact Mass2171.48
IUPAC Name2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCCCCCOc1cc2c(cc1OCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Ir].[Pt+2]
InChIInChI=1S/C48H46NO2.C37H18F2N4.C20H11F3N3O.2Ir.Pt/c1-5-7-13-24-50-46-30-40-38-26-32(3)33(4)27-43(38)48(44(40)31-47(46)51-25-14-8-6-2)41-19-10-9-18-37(41)39-29-35(21-22-42(39)48)34-16-15-17-36(28-34)45-20-11-12-23-49-45;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;;;/h9-12,15-16,18-23,26-31H,5-8,13-14,24-25H2,1-4H3;2-15,18-21H;1-3,5-12H;;;/q-1;-2;-1;;;+2
InChIKeyWOYFISRTQUYDGJ-UHFFFAOYSA-N
XLogP26.07
TPSA137.09 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds19
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002171.31
LogP ≤ 526.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 158870069) is 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is CCCCCOc1cc2c(cc1OCCCCC)C1(c3ccccc3-c3cc(-c4cc[c-]c(-c5ccccn5)c4)ccc31)c1cc(C)c(C)cc1-2.FC(F)(F)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.[C-]#[N+]c1cc(-c2cccc(C3(c4cccc(-c5[c-]cc(F)c(C#N)c5)n4)c4ccccc4-c4ccccc43)n2)[c-]cc1F.[Ir].[Ir].[Pt+2].
What is the InChIKey of 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is WOYFISRTQUYDGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46NO2.C37H18F2N4.C20H11F3N3O.2Ir.Pt/c1-5-7-13-24-50-46-30-40-38-26-32(3)33(4)27-43(38)48(44(40)31-47(46)51-25-14-8-6-2)41-19-10-9-18-37(41)39-29-35(21-22-42(39)48)34-16-15-17-36(28-34)45-20-11-12-23-49-45;1-41-34-21-24(17-19-31(34)39)33-13-7-15-36(43-33)37(28-10-4-2-8-26(28)27-9-3-5-11-29(27)37)35-14-6-12-32(42-35)23-16-18-30(38)25(20-23)22-40;21-20(22,23)16-9-7-13(8-10-16)18-25-26-19(27-18)15-5-3-4-14(12-15)17-6-1-2-11-24-17;;;/h9-12,15-16,18-23,26-31H,5-8,13-14,24-25H2,1-4H3;2-15,18-21H;1-3,5-12H;;;/q-1;-2;-1;;;+2.
What are the key properties of 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole has a molecular weight of 2171.31 g/mol, XLogP of 26.07, 19 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2',3'-dimethyl-6',7'-dipentoxy-9,9'-spirobi[fluorene]-3-yl)benzene-6-id-1-yl]pyridine;2-fluoro-5-[6-[9-[6-(4-fluoro-3-isocyanobenzene-6-id-1-yl)-2-pyridinyl]fluoren-9-yl]-2-pyridinyl]benzene-4-ide-1-carbonitrile;bis(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 158870069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).