2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane

C182H152Al2N18O9 — CID 157463827

About 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane

2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane (PubChem CID 157463827) has the molecular formula C182H152Al2N18O9 and a molecular weight of 2789.30 g/mol. Its IUPAC name is 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane.

Molecular Properties

• Compound Name: 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane
• PubChem CID: 157463827
• Molecular Formula: C182H152Al2N18O9
• Molecular Weight: 2789.30 g/mol
• Exact Mass: 2787.16
• IUPAC Name: 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane
• SMILES: CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1.CCc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1.c1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
• InChI: InChI=1S/C32H31N3.C30H30N4O2.C30H27N3.C24H22N2O.3C13H9NO.3C9H7NO.2Al/c1-5-23-11-21-29(22-12-23)35-30(26-15-13-25(14-16-26)24-9-7-6-8-10-24)33-34-31(35)27-17-19-28(20-18-27)32(2,3)4;1-29(2,3)23-15-11-21(12-16-23)27-33-31-25(35-27)19-7-9-20(10-8-19)26-32-34-28(36-26)22-13-17-24(18-14-22)30(4,5)6;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;3*15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12;3*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h6-22H,5H2,1-4H3;7-18H,1-6H3;4-21H,1-3H3;4-16H,1-3H3;3*1-8,15H;3*1-6,11H;;/q;;;;;;;;;;2*+3/p-6
• InChIKey: BUFWNTZOUVKMKR-UHFFFAOYSA-H
• XLogP: 44.94
• TPSA: 310.90 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 28
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2789.30
LogP ≤ 5	44.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane?

The IUPAC name of 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane (CID 157463827) is 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane.

What is the SMILES notation for 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane?

The canonical SMILES for 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1.CCc1ccc(-n2c(-c3ccc(-c4ccccc4)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1.c1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.

What is the InChIKey of 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane?

The InChIKey is BUFWNTZOUVKMKR-UHFFFAOYSA-H. The full InChI is InChI=1S/C32H31N3.C30H30N4O2.C30H27N3.C24H22N2O.3C13H9NO.3C9H7NO.2Al/c1-5-23-11-21-29(22-12-23)35-30(26-15-13-25(14-16-26)24-9-7-6-8-10-24)33-34-31(35)27-17-19-28(20-18-27)32(2,3)4;1-29(2,3)23-15-11-21(12-16-23)27-33-31-25(35-27)19-7-9-20(10-8-19)26-32-34-28(36-26)22-13-17-24(18-14-22)30(4,5)6;1-30(2,3)26-20-18-25(19-21-26)29-32-31-28(33(29)27-12-8-5-9-13-27)24-16-14-23(15-17-24)22-10-6-4-7-11-22;1-24(2,3)21-15-13-20(14-16-21)23-26-25-22(27-23)19-11-9-18(10-12-19)17-7-5-4-6-8-17;3*15-12-7-3-6-11-10-5-2-1-4-9(10)8-14-13(11)12;3*11-8-5-1-3-7-4-2-6-10-9(7)8;;/h6-22H,5H2,1-4H3;7-18H,1-6H3;4-21H,1-3H3;4-16H,1-3H3;3*1-8,15H;3*1-6,11H;;/q;;;;;;;;;;2*+3/p-6.

What are the key properties of 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane?

2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane has a molecular weight of 2789.30 g/mol, XLogP of 44.94, 28 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-1,2,4-triazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157463827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).