2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane

C195H158AlF18N19O4 — CID 158237148

About 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane

2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane (PubChem CID 158237148) has the molecular formula C195H158AlF18N19O4 and a molecular weight of 3200.48 g/mol. Its IUPAC name is 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane.

Molecular Properties

• Compound Name: 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane
• PubChem CID: 158237148
• Molecular Formula: C195H158AlF18N19O4
• Molecular Weight: 3200.48 g/mol
• Exact Mass: 3198.23
• IUPAC Name: 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane
• SMILES: CC(C)(C)c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccc(C(C)(C)C)cc3)cc(-c3nc4ccccc4nc3-c3ccc(C(C)(C)C)cc3)c2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
• InChI: InChI=1S/C60H54N6.C48H30N6.C24H22N2O.C24H16N2.3C9H7NO.6C2H3F3.Al/c1-58(2,3)43-28-22-37(23-29-43)52-55(64-49-19-13-10-16-46(49)61-52)40-34-41(56-53(62-47-17-11-14-20-50(47)65-56)38-24-30-44(31-25-38)59(4,5)6)36-42(35-40)57-54(63-48-18-12-15-21-51(48)66-57)39-26-32-45(33-27-39)60(7,8)9;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;1-24(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;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-2(3,4)5;/h10-36H,1-9H3;1-30H;4-16H,1-3H3;1-16H;3*1-6,11H;6*1H3;/q;;;;;;;;;;;;;+3/p-3
• InChIKey: GFCGKEHJNLBGOJ-UHFFFAOYSA-K
• XLogP: 54.68
• TPSA: 285.74 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 23
• Heavy Atoms: 237
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3200.48
LogP ≤ 5	54.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane?

The IUPAC name of 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane (CID 158237148) is 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane.

What is the SMILES notation for 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane?

The canonical SMILES for 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane is CC(C)(C)c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccc(C(C)(C)C)cc3)cc(-c3nc4ccccc4nc3-c3ccc(C(C)(C)C)cc3)c2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.CC(F)(F)F.c1ccc(-c2ccnc3c2ccc2c(-c4ccccc4)ccnc23)cc1.c1ccc(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.

What is the InChIKey of 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane?

The InChIKey is GFCGKEHJNLBGOJ-UHFFFAOYSA-K. The full InChI is InChI=1S/C60H54N6.C48H30N6.C24H22N2O.C24H16N2.3C9H7NO.6C2H3F3.Al/c1-58(2,3)43-28-22-37(23-29-43)52-55(64-49-19-13-10-16-46(49)61-52)40-34-41(56-53(62-47-17-11-14-20-50(47)65-56)38-24-30-44(31-25-38)59(4,5)6)36-42(35-40)57-54(63-48-18-12-15-21-51(48)66-57)39-26-32-45(33-27-39)60(7,8)9;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;1-24(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;1-3-7-17(8-4-1)19-13-15-25-23-21(19)11-12-22-20(14-16-26-24(22)23)18-9-5-2-6-10-18;3*11-8-5-1-3-7-4-2-6-10-9(7)8;6*1-2(3,4)5;/h10-36H,1-9H3;1-30H;4-16H,1-3H3;1-16H;3*1-6,11H;6*1H3;/q;;;;;;;;;;;;;+3/p-3.

What are the key properties of 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane?

2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane has a molecular weight of 3200.48 g/mol, XLogP of 54.68, 23 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3,5-bis[3-(4-tert-butylphenyl)quinoxalin-2-yl]phenyl]-3-(4-tert-butylphenyl)quinoxaline;2-[3,5-bis(3-phenylquinoxalin-2-yl)phenyl]-3-phenylquinoxaline;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;4,7-diphenyl-1,10-phenanthroline;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 158237148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).