2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

C128H95F5Ir3N11O4Pt-3 — CID 158596633

IUPAC2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.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].[Ir].[Pt+2]
InChIInChI=1S/C48H46NO2.C37H18F2N4.C23H20N3O.C20H11F3N3O.3Ir.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;1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;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;4-6,8-15H,1-3H3;1-3,5-12H;;;;/q-1;-2;2*-1;;;;+2
InChIKeyFEDFZRUNVUELDT-UHFFFAOYSA-N
MW2717.96 g/mol
LogP31.63
Rot. Bonds22

About 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole

2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (PubChem CID 158596633) has the molecular formula C128H95F5Ir3N11O4Pt-3 and a molecular weight of 2717.96 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
PubChem CID158596633
Molecular FormulaC128H95F5Ir3N11O4Pt-3
Molecular Weight2717.96 g/mol
Exact Mass2718.60
IUPAC Name2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
SMILESCC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.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].[Ir].[Pt+2]
InChIInChI=1S/C48H46NO2.C37H18F2N4.C23H20N3O.C20H11F3N3O.3Ir.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;1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;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;4-6,8-15H,1-3H3;1-3,5-12H;;;;/q-1;-2;2*-1;;;;+2
InChIKeyFEDFZRUNVUELDT-UHFFFAOYSA-N
XLogP31.63
TPSA188.90 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds22
Heavy Atoms152
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002717.96
LogP ≤ 531.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(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-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole (CID 158596633) is 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(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-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(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-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole is CC(C)(C)c1ccc(-c2nnc(-c3cc[c-]c(-c4ccccn4)c3)o2)cc1.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].[Ir].[Pt+2].
What is the InChIKey of 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
The InChIKey is FEDFZRUNVUELDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H46NO2.C37H18F2N4.C23H20N3O.C20H11F3N3O.3Ir.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;1-23(2,3)19-12-10-16(11-13-19)21-25-26-22(27-21)18-8-6-7-17(15-18)20-9-4-5-14-24-20;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;4-6,8-15H,1-3H3;1-3,5-12H;;;;/q-1;-2;2*-1;;;;+2.
What are the key properties of 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(iridium);platinum(2+);2-(3-pyridin-2-ylbenzene-4-id-1-yl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole?
2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(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 2717.96 g/mol, XLogP of 31.63, 22 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylphenyl)-5-(3-pyridin-2-ylbenzene-4-id-1-yl)-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;tris(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 158596633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).