2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline

C229H190B2N22O3S3 — CID 160948310

About 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline

2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline (PubChem CID 160948310) has the molecular formula C229H190B2N22O3S3 and a molecular weight of 3416.01 g/mol. Its IUPAC name is 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline.

Molecular Properties

• Compound Name: 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
• PubChem CID: 160948310
• Molecular Formula: C229H190B2N22O3S3
• Molecular Weight: 3416.01 g/mol
• Exact Mass: 3413.47
• IUPAC Name: 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3)n2-c2ccccc2)cc1.Cc1cc(C)c(B(c2ccc(-c3ccc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)s4)s3)s2)c2c(C)cc(C)cc2C)c(C)c1.c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21
• InChI: InChI=1S/C49H28N4.C48H50B2S3.C48H30N6.C42H42N6O3.C42H40N6/c1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44;1-27-19-31(5)45(32(6)20-27)49(46-33(7)21-28(2)22-34(46)8)43-17-15-41(52-43)39-13-14-40(51-39)42-16-18-44(53-42)50(47-35(9)23-29(3)24-36(47)10)48-37(11)25-30(4)26-38(48)12;1-4-16-31(17-5-1)43-46(52-40-25-13-10-22-37(40)49-43)34-28-35(47-44(32-18-6-2-7-19-32)50-38-23-11-14-26-41(38)53-47)30-36(29-34)48-45(33-20-8-3-9-21-33)51-39-24-12-15-27-42(39)54-48;1-40(2,3)31-16-10-25(11-17-31)34-43-46-37(49-34)28-22-29(38-47-44-35(50-38)26-12-18-32(19-13-26)41(4,5)6)24-30(23-28)39-48-45-36(51-39)27-14-20-33(21-15-27)42(7,8)9;1-41(2,3)33-25-21-31(22-26-33)39-45-43-37(47(39)35-13-9-7-10-14-35)29-17-19-30(20-18-29)38-44-46-40(48(38)36-15-11-8-12-16-36)32-23-27-34(28-24-32)42(4,5)6/h1-28H;13-26H,1-12H3;1-30H;10-24H,1-9H3;7-28H,1-6H3
• InChIKey: SVKJYUCRMAGNTH-UHFFFAOYSA-N
• XLogP: 53.85
• TPSA: 307.08 Ų
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 259
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3416.01
LogP ≤ 5	53.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	28

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?

The IUPAC name of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline (CID 160948310) is 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline.

What is the SMILES notation for 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?

The canonical SMILES for 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline is CC(C)(C)c1ccc(-c2nnc(-c3cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)c3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)n4-c4ccccc4)cc3)n2-c2ccccc2)cc1.Cc1cc(C)c(B(c2ccc(-c3ccc(-c4ccc(B(c5c(C)cc(C)cc5C)c5c(C)cc(C)cc5C)s4)s3)s2)c2c(C)cc(C)cc2C)c(C)c1.c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.c1ccc2c(c1)-c1ccc(-c3ccc4ccc5cccnc5c4n3)cc1C21c2ccccc2-c2ccc(-c3ccc4ccc5cccnc5c4n3)cc21.

What is the InChIKey of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?

The InChIKey is SVKJYUCRMAGNTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4.C48H50B2S3.C48H30N6.C42H42N6O3.C42H40N6/c1-3-11-39-35(9-1)37-21-17-33(43-23-19-31-15-13-29-7-5-25-50-45(29)47(31)52-43)27-41(37)49(39)40-12-4-2-10-36(40)38-22-18-34(28-42(38)49)44-24-20-32-16-14-30-8-6-26-51-46(30)48(32)53-44;1-27-19-31(5)45(32(6)20-27)49(46-33(7)21-28(2)22-34(46)8)43-17-15-41(52-43)39-13-14-40(51-39)42-16-18-44(53-42)50(47-35(9)23-29(3)24-36(47)10)48-37(11)25-30(4)26-38(48)12;1-4-16-31(17-5-1)43-46(52-40-25-13-10-22-37(40)49-43)34-28-35(47-44(32-18-6-2-7-19-32)50-38-23-11-14-26-41(38)53-47)30-36(29-34)48-45(33-20-8-3-9-21-33)51-39-24-12-15-27-42(39)54-48;1-40(2,3)31-16-10-25(11-17-31)34-43-46-37(49-34)28-22-29(38-47-44-35(50-38)26-12-18-32(19-13-26)41(4,5)6)24-30(23-28)39-48-45-36(51-39)27-14-20-33(21-15-27)42(7,8)9;1-41(2,3)33-25-21-31(22-26-33)39-45-43-37(47(39)35-13-9-7-10-14-35)29-17-19-30(20-18-29)38-44-46-40(48(38)36-15-11-8-12-16-36)32-23-27-34(28-24-32)42(4,5)6/h1-28H;13-26H,1-12H3;1-30H;10-24H,1-9H3;7-28H,1-6H3.

What are the key properties of 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline?

2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline has a molecular weight of 3416.01 g/mol, XLogP of 53.85, 28 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-tert-butylphenyl)-1,3,4-oxadiazole;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;[5-[5-[5-bis(2,4,6-trimethylphenyl)boranylthiophen-2-yl]thiophen-2-yl]thiophen-2-yl]-bis(2,4,6-trimethylphenyl)borane;3-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-1,2,4-triazole;2-[2'-(1,10-phenanthrolin-2-yl)-9,9'-spirobi[fluorene]-2-yl]-1,10-phenanthroline is sourced from PubChem (CID 160948310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).