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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane

C171H142AlF18N17O4 — CID 157078417

IUPAC2-[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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane
SMILESCC(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(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C60H54N6.C48H30N6.C24H22N2O.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;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;3*1-6,11H;6*1H3;/q;;;;;;;;;;;;+3/p-3
InChIKeyADGBFUUWQLENHF-UHFFFAOYSA-K
MW2868.08 g/mol
LogP48.56
Rot. Bonds21

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;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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane (PubChem CID 157078417) has the molecular formula C171H142AlF18N17O4 and a molecular weight of 2868.08 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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name2-[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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane
PubChem CID157078417
Molecular FormulaC171H142AlF18N17O4
Molecular Weight2868.08 g/mol
Exact Mass2866.10
IUPAC Name2-[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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane
SMILESCC(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(-c2nc3ccccc3nc2-c2cc(-c3nc4ccccc4nc3-c3ccccc3)cc(-c3nc4ccccc4nc3-c3ccccc3)c2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C60H54N6.C48H30N6.C24H22N2O.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;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;3*1-6,11H;6*1H3;/q;;;;;;;;;;;;+3/p-3
InChIKeyADGBFUUWQLENHF-UHFFFAOYSA-K
XLogP48.56
TPSA259.96 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002868.08
LogP ≤ 548.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

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
2-[4,7-Bis(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[4,7-bis(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-difluoro-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-difluoro-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,10-phenanthrolin-2-yl)-5-[3-[5-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 159281961
2-(4,7-Difluoro-1,10-phenanthrolin-2-yl)-5-[3-[5-(4-fluoro-7-methyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-dimethyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-5-[3-[5-(4,7-diphenyl-1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-5-[3-[5-[7-methyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(1,10-phenanthrolin-2-yl)-5-[3-[5-(1,10-phenanthrolin-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2-(3,4,7,8-tetramethyl-1,10-phenanthrolin-2-yl)-5-[3-[5-[3,7,8-trimethyl-4-(trifluoromethyl)-1,10-phenanthrolin-2-yl]-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole
CID 160542161
2-[1,1-Dimethyl-3,4-diphenyl-5-(6-pyridin-2-yl-2-pyridinyl)silol-2-yl]-6-pyridin-2-ylpyridine;1,1-dimethyl-2,3,4,5-tetraphenylsilole;4,7-diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole;trimethyl-[3-[10-(3-methylphenyl)-7,7-diphenyl-3,11-disilatricyclo[6.3.0.02,6]undeca-1(8),2(6),4,9-tetraen-4-yl]phenyl]silane
CID 160915958
4,7-Diphenyl-1,10-phenanthroline;[2-(2-diphenylphosphanylphenoxy)phenyl]-diphenylphosphane;2-(3-methylphenyl)-5-[4-[tris[4-[5-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]phenyl]methyl]phenyl]-1,3,4-oxadiazole
CID 167658021
CID 157264658
CID 157264658
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
7,18-bis(2,5-dimethylphenyl)-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;2-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;2,3-dimethyl-1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]naphthalene-1,4-diamine;1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethyl)phenyl]benzene;tri(quinolin-8-yloxy)alumane
CID 157540139
CID 157850609
CID 157850609
CID 157921230
CID 157921230
3-(4-tert-butylphenyl)-5-[3-[5-(4-tert-butylphenyl)-4H-pyrazol-3-yl]phenyl]-4H-pyrazole;3-(4-tert-butylphenyl)-4-(4-ethylphenyl)-5-(4-phenylphenyl)-4H-pyrazole;2-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-4H-pyrazole;bis(2-[(E)-2-phenylethenyl]quinolin-8-ol);bis(2-[(E)-2-(4-phenylphenyl)ethenyl]quinolin-8-ol);tri(phenanthridin-4-yloxy)alumane;tri(quinolin-8-yloxy)alumane;zinc
CID 158024760
7,18-Diphenyl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;5,6-diphenyl-1,10-phenanthroline;tri(quinolin-8-yloxy)alumane
CID 158057500

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;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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane (CID 157078417) 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;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;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;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(-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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane?
The InChIKey is ADGBFUUWQLENHF-UHFFFAOYSA-K. The full InChI is InChI=1S/C60H54N6.C48H30N6.C24H22N2O.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;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;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;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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane has a molecular weight of 2868.08 g/mol, XLogP of 48.56, 21 rotatable bonds, 0 hydrogen bond donors, and 21 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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157078417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).