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

C266H218Al2N20O11Zn2 — CID 158024760

IUPAC3-(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
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(C2=NN=C(c3ccc(-c4ccccc4)cc3)C2c2ccccc2)cc1.CC(C)(C)c1ccc(C2=NN=C(c3cccc(C4=NN=C(c5ccc(C(C)(C)C)cc5)C4)c3)C2)cc1.CCc1ccc(C2C(c3ccc(-c4ccccc4)cc3)=NN=C2c2ccc(C(C)(C)C)cc2)cc1.Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4)cc3)nc12.Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4)cc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.[Zn].[Zn].c1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C33H32N2.C32H34N4.C31H28N2.C24H22N2O.2C23H17NO.2C17H13NO.3C13H9NO.3C9H7NO.2Al.2Zn/c1-5-23-11-13-26(14-12-23)30-31(27-17-15-25(16-18-27)24-9-7-6-8-10-24)34-35-32(30)28-19-21-29(22-20-28)33(2,3)4;1-31(2,3)25-14-10-21(11-15-25)27-19-29(35-33-27)23-8-7-9-24(18-23)30-20-28(34-36-30)22-12-16-26(17-13-22)32(4,5)6;1-31(2,3)27-20-18-26(19-21-27)30-28(24-12-8-5-9-13-24)29(32-33-30)25-16-14-23(15-17-25)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;2*25-22-8-4-7-20-14-16-21(24-23(20)22)15-11-17-9-12-19(13-10-17)18-5-2-1-3-6-18;2*19-16-8-4-7-14-10-12-15(18-17(14)16)11-9-13-5-2-1-3-6-13;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;;;;/h6-22,30H,5H2,1-4H3;7-18H,19-20H2,1-6H3;4-21,28H,1-3H3;4-16H,1-3H3;2*1-16,25H;2*1-12,19H;3*1-8,15H;3*1-6,11H;;;;/q;;;;;;;;;;;;;;2*+3;;/p-6/b;;;;2*15-11+;2*11-9+;;;;;;;;;;
InChIKeyHCYAESZWKFYYJU-ICVVHHKYSA-H
MW4055.54 g/mol
LogP64.63
Rot. Bonds38

About 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

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 (PubChem CID 158024760) has the molecular formula C266H218Al2N20O11Zn2 and a molecular weight of 4055.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID158024760
Molecular FormulaC266H218Al2N20O11Zn2
Molecular Weight4055.54 g/mol
Exact Mass4049.53
IUPAC Name3-(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
SMILESCC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(C2=NN=C(c3ccc(-c4ccccc4)cc3)C2c2ccccc2)cc1.CC(C)(C)c1ccc(C2=NN=C(c3cccc(C4=NN=C(c5ccc(C(C)(C)C)cc5)C4)c3)C2)cc1.CCc1ccc(C2C(c3ccc(-c4ccccc4)cc3)=NN=C2c2ccc(C(C)(C)C)cc2)cc1.Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4)cc3)nc12.Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4)cc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.[Zn].[Zn].c1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1
InChIInChI=1S/C33H32N2.C32H34N4.C31H28N2.C24H22N2O.2C23H17NO.2C17H13NO.3C13H9NO.3C9H7NO.2Al.2Zn/c1-5-23-11-13-26(14-12-23)30-31(27-17-15-25(16-18-27)24-9-7-6-8-10-24)34-35-32(30)28-19-21-29(22-20-28)33(2,3)4;1-31(2,3)25-14-10-21(11-15-25)27-19-29(35-33-27)23-8-7-9-24(18-23)30-20-28(34-36-30)22-12-16-26(17-13-22)32(4,5)6;1-31(2,3)27-20-18-26(19-21-27)30-28(24-12-8-5-9-13-24)29(32-33-30)25-16-14-23(15-17-25)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;2*25-22-8-4-7-20-14-16-21(24-23(20)22)15-11-17-9-12-19(13-10-17)18-5-2-1-3-6-18;2*19-16-8-4-7-14-10-12-15(18-17(14)16)11-9-13-5-2-1-3-6-13;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;;;;/h6-22,30H,5H2,1-4H3;7-18H,19-20H2,1-6H3;4-21,28H,1-3H3;4-16H,1-3H3;2*1-16,25H;2*1-12,19H;3*1-8,15H;3*1-6,11H;;;;/q;;;;;;;;;;;;;;2*+3;;/p-6/b;;;;2*15-11+;2*11-9+;;;;;;;;;;
InChIKeyHCYAESZWKFYYJU-ICVVHHKYSA-H
XLogP64.63
TPSA403.00 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms301
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004055.54
LogP ≤ 564.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 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 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;hexakis(1,1,1-trifluoroethane);tri(quinolin-8-yloxy)alumane
CID 157078417
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-(3,4-Diphenylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;2-(3,5-dipyridin-3-ylphenyl)-4,6-bis(3-phenylphenyl)-1,3-benzoxazole;6-isoquinolin-5-yl-2-[4-(4-pyridin-3-ylphenyl)phenyl]-4-quinolin-4-yl-1,3-benzoxazole;4-(3-phenylphenyl)-2-(4-phenylphenyl)-6-(9,9'-spirobi[fluorene]-2-yl)-1,3-benzoxazole
CID 157143929
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
CID 157264658
CID 157264658
2-[6-tert-butyl-4-[4-(4-tert-butyl-2-pyridinyl)-3H-naphthalen-3-id-2-yl]-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)-2H-naphthalen-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[4-[4-(4-tert-butyl-2-pyridinyl)-3H-naphthalen-3-id-2-yl]-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-(3-pyridin-2-yl-2H-naphthalen-2-id-1-yl)-1,3-benzoxazol-2-yl]phenol;platinum;2-[4-(4-pyridin-2-yl-3H-naphthalen-3-id-2-yl)-1,3-benzoxazol-2-yl]phenol
CID 157331363
2-[6-Tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-5-(3,5-ditert-butylphenyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-5-[3,5-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-[3-[3,5-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[4-[3-(4-tert-butyl-2-pyridinyl)-5-[3,5-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[4-[3-[3,5-di(propan-2-yl)phenyl]-5-pyridin-2-ylbenzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 157352036
2-[6-Tert-butyl-4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)-5-[3,5-di(propan-2-yl)phenyl]benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[4-[3-tert-butyl-5-(4-phenyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]phenol;2-[6-tert-butyl-4-[3-(4-phenyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]phenol;platinum
CID 157354225
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
2-[6-Tert-butyl-4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4-phenylphenol;2-[4-[3-tert-butyl-5-(4-tert-butyl-2-pyridinyl)benzene-6-id-1-yl]-1,3-benzoxazol-2-yl]-4-phenylphenol;2-[6-tert-butyl-4-[3-(4-tert-butyl-2-pyridinyl)benzene-2-id-1-yl]-1,3-benzoxazol-2-yl]-4-phenylphenol;2-[4-(2,4-ditert-butyl-5-pyridin-2-ylbenzene-6-id-1-yl)-1,3-benzoxazol-2-yl]-4-phenylphenol;platinum
CID 157526363
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C)c1ccc(-c2nnc(-c3ccc(-c4ccccc4)cc3)o2)cc1.CC(C)(C)c1ccc(C2=NN=C(c3ccc(-c4ccccc4)cc3)C2c2ccccc2)cc1.CC(C)(C)c1ccc(C2=NN=C(c3cccc(C4=NN=C(c5ccc(C(C)(C)C)cc5)C4)c3)C2)cc1.CCc1ccc(C2C(c3ccc(-c4ccccc4)cc3)=NN=C2c2ccc(C(C)(C)C)cc2)cc1.Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4)cc3)nc12.Oc1cccc2ccc(/C=C/c3ccc(-c4ccccc4)cc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.Oc1cccc2ccc(/C=C/c3ccccc3)nc12.[Zn].[Zn].c1ccc2c(c1)cnc1c(O[Al](Oc3cccc4c3ncc3ccccc34)Oc3cccc4c3ncc3ccccc34)cccc12.c1cnc2c(O[Al](Oc3cccc4cccnc34)Oc3cccc4cccnc34)cccc2c1.
What is the InChIKey of 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?
The InChIKey is HCYAESZWKFYYJU-ICVVHHKYSA-H. The full InChI is InChI=1S/C33H32N2.C32H34N4.C31H28N2.C24H22N2O.2C23H17NO.2C17H13NO.3C13H9NO.3C9H7NO.2Al.2Zn/c1-5-23-11-13-26(14-12-23)30-31(27-17-15-25(16-18-27)24-9-7-6-8-10-24)34-35-32(30)28-19-21-29(22-20-28)33(2,3)4;1-31(2,3)25-14-10-21(11-15-25)27-19-29(35-33-27)23-8-7-9-24(18-23)30-20-28(34-36-30)22-12-16-26(17-13-22)32(4,5)6;1-31(2,3)27-20-18-26(19-21-27)30-28(24-12-8-5-9-13-24)29(32-33-30)25-16-14-23(15-17-25)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;2*25-22-8-4-7-20-14-16-21(24-23(20)22)15-11-17-9-12-19(13-10-17)18-5-2-1-3-6-18;2*19-16-8-4-7-14-10-12-15(18-17(14)16)11-9-13-5-2-1-3-6-13;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;;;;/h6-22,30H,5H2,1-4H3;7-18H,19-20H2,1-6H3;4-21,28H,1-3H3;4-16H,1-3H3;2*1-16,25H;2*1-12,19H;3*1-8,15H;3*1-6,11H;;;;/q;;;;;;;;;;;;;;2*+3;;/p-6/b;;;;2*15-11+;2*11-9+;;;;;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 4055.54 g/mol, XLogP of 64.63, 38 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158024760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).