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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane

C212H188AlN21O6 — CID 157246704

IUPAC2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;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-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane
SMILESCC(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)n4-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C59H51N3.C42H40N6.C30H30N4O2.C30H27N3.C24H22N2O.3C9H7NO.Al/c1-42-6-24-51(25-7-42)60(52-26-8-43(2)9-27-52)56-34-16-47(17-35-56)49-20-38-58(39-21-49)62(55-32-14-46(5)15-33-55)59-40-22-50(23-41-59)48-18-36-57(37-19-48)61(53-28-10-44(3)11-29-53)54-30-12-45(4)13-31-54;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;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*11-8-5-1-3-7-4-2-6-10-9(7)8;/h6-41H,1-5H3;7-28H,1-6H3;7-18H,1-6H3;4-21H,1-3H3;4-16H,1-3H3;3*1-6,11H;/q;;;;;;;;+3/p-3
InChIKeyAVVYIZLAKXETMV-UHFFFAOYSA-K
MW3152.96 g/mol
LogP54.59
Rot. Bonds34

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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane (PubChem CID 157246704) has the molecular formula C212H188AlN21O6 and a molecular weight of 3152.96 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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane.

Molecular Properties

Compound Name2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;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-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane
PubChem CID157246704
Molecular FormulaC212H188AlN21O6
Molecular Weight3152.96 g/mol
Exact Mass3150.49
IUPAC Name2-(4-tert-butylphenyl)-5-[4-[5-(4-tert-butylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,3,4-oxadiazole;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-(4-tert-butylphenyl)-5-(4-phenylphenyl)-1,3,4-oxadiazole;3-(4-tert-butylphenyl)-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane
SMILESCC(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)n4-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C59H51N3.C42H40N6.C30H30N4O2.C30H27N3.C24H22N2O.3C9H7NO.Al/c1-42-6-24-51(25-7-42)60(52-26-8-43(2)9-27-52)56-34-16-47(17-35-56)49-20-38-58(39-21-49)62(55-32-14-46(5)15-33-55)59-40-22-50(23-41-59)48-18-36-57(37-19-48)61(53-28-10-44(3)11-29-53)54-30-12-45(4)13-31-54;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;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*11-8-5-1-3-7-4-2-6-10-9(7)8;/h6-41H,1-5H3;7-28H,1-6H3;7-18H,1-6H3;4-21H,1-3H3;4-16H,1-3H3;3*1-6,11H;/q;;;;;;;;+3/p-3
InChIKeyAVVYIZLAKXETMV-UHFFFAOYSA-K
XLogP54.59
TPSA284.97 Ų
H-Bond Donors
H-Bond Acceptors27
Rotatable Bonds34
Heavy Atoms240
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003152.96
LogP ≤ 554.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1027

Analyze 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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane with MolForge

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Related Compounds

3-(4-tert-butylphenyl)-5-methyl-4-phenyl-1,2,4-triazole;methane;2-methyl-1,3-benzoxazole;3-methyl-4,5-diphenyl-1,2,4-triazole;3-methyl-4-phenyl-5-(4-phenylphenyl)-1,2,4-triazole;5-phenyl-2-[(E)-prop-1-enyl]-1,3-oxazole
CID 157157068
CID 157349813
CID 157349813
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
2-(4-tert-butylphenyl)-5-[3-[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;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 157543863
2-(4-Tert-butylphenyl)-5-[4-[4-(3,4-diphenylimidazo[4,5-c][1,5]naphthyridin-2-yl)phenyl]phenyl]-1,3,4-oxadiazole;2-[4-[4-(2,5-diphenylimidazol-1-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine;3,4-diphenyl-2-[4-(9-phenylcarbazol-3-yl)phenyl]imidazo[4,5-c][1,5]naphthyridine;2-[4-[4-(4,5-diphenyl-1,2,4-triazol-3-yl)phenyl]phenyl]-3,4-diphenylimidazo[4,5-c][1,5]naphthyridine
CID 157591305
2-[4-[4,6-Bis[4-(3,5-dimethylphenyl)phenyl]-1,3,5-triazin-2-yl]phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[4-[4,6-bis(3-isoquinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;2-[4-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[4-[4,6-bis(3-pyrimidin-2-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-5,6-dimethyl-1,3-benzoxazole;2-[4-[4,6-bis(3-quinolin-8-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole;5,6-dimethyl-2-[4-[4-(3-pyrimidin-4-ylphenyl)-6-(3-pyrimidin-5-ylphenyl)-1,3,5-triazin-2-yl]phenyl]-1,3-benzoxazole
CID 157643105
2-Methyl-1,3-benzoxazole;5-methyl-1,2-diphenylimidazole;3-methyl-4,5-diphenyl-1,2,4-triazole;9-(4-methylphenyl)carbazole;2-methyl-1-phenylimidazole;1-(4-methylphenyl)indole;2-methyl-5-phenyl-1,3,4-oxadiazole;2-(3-methylphenyl)-1-phenylimidazole
CID 157709985
11-(4,6-Diphenyl-1,3,5-triazin-2-yl)naphtho[2,1-a]carbazole;11-(4,6-diphenyl-1,3,5-triazin-2-yl)-2-pyridin-2-ylnaphtho[2,1-a]carbazole;11-[4-(3,5-diphenyl-1,2,4-triazol-4-yl)phenyl]naphtho[2,1-a]carbazole;2-naphtho[2,1-a]carbazol-11-yl-1,3-benzoxazole
CID 157825923
CID 157850609
CID 157850609
1-N,1-N-bis[4-(3-methyl-N-(3-methylphenyl)anilino)phenyl]-4-N,4-N-bis(3-methylphenyl)benzene-1,4-diamine;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
CID 157870766
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

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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane (CID 157246704) 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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;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)n4-c4ccccc4)cc3)n2-c2ccccc2)cc1.CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4nnc(-c5ccc(C(C)(C)C)cc5)o4)cc3)o2)cc1.Cc1ccc(N(c2ccc(C)cc2)c2ccc(-c3ccc(N(c4ccc(C)cc4)c4ccc(-c5ccc(N(c6ccc(C)cc6)c6ccc(C)cc6)cc5)cc4)cc3)cc2)cc1.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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane?
The InChIKey is AVVYIZLAKXETMV-UHFFFAOYSA-K. The full InChI is InChI=1S/C59H51N3.C42H40N6.C30H30N4O2.C30H27N3.C24H22N2O.3C9H7NO.Al/c1-42-6-24-51(25-7-42)60(52-26-8-43(2)9-27-52)56-34-16-47(17-35-56)49-20-38-58(39-21-49)62(55-32-14-46(5)15-33-55)59-40-22-50(23-41-59)48-18-36-57(37-19-48)61(53-28-10-44(3)11-29-53)54-30-12-45(4)13-31-54;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;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*11-8-5-1-3-7-4-2-6-10-9(7)8;/h6-41H,1-5H3;7-28H,1-6H3;7-18H,1-6H3;4-21H,1-3H3;4-16H,1-3H3;3*1-6,11H;/q;;;;;;;;+3/p-3.
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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane has a molecular weight of 3152.96 g/mol, XLogP of 54.59, 34 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)-5-[4-[5-(4-tert-butylphenyl)-4-phenyl-1,2,4-triazol-3-yl]phenyl]-4-phenyl-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;4-methyl-N-[4-[4-(4-methyl-N-[4-[4-(4-methyl-N-(4-methylphenyl)anilino)phenyl]phenyl]anilino)phenyl]phenyl]-N-(4-methylphenyl)aniline;tri(quinolin-8-yloxy)alumane is sourced from PubChem (CID 157246704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).