4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one

C216H250BrCl3F6N22O23 — CID 159936996

IUPAC4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
SMILESCC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(C(F)(F)F)c3)cc2C(F)(F)F)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(Cl)c3)cc2Cl)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3Br)c(Cl)c2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)C=C(C(C)(C)C)C1=O.COc1cc(Oc2cc(OC)c(/N=N/C=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c(OC)c2)cc(OC)c1/N=N/C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1
InChIInChI=1S/C46H58N4O7.C44H48F6N4O3.C42H48BrClN4O3.C42H48Cl2N4O3.C42H48N6O7/c1-43(2,3)31-17-27(18-32(41(31)51)44(4,5)6)25-47-49-39-35(53-13)21-29(22-36(39)54-14)57-30-23-37(55-15)40(38(24-30)56-16)50-48-26-28-19-33(45(7,8)9)42(52)34(20-28)46(10,11)12;1-39(2,3)31-17-25(18-32(37(31)55)40(4,5)6)23-51-53-35-15-13-27(21-29(35)43(45,46)47)57-28-14-16-36(30(22-28)44(48,49)50)54-52-24-26-19-33(41(7,8)9)38(56)34(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-45-47-27-13-15-35(33(43)21-27)51-36-16-14-28(22-34(36)44)48-46-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-45-47-35-15-13-27(21-33(35)43)51-28-14-16-36(34(44)22-28)48-46-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-43-45-27-13-15-35(33(21-27)47(51)52)55-36-16-14-28(22-34(36)48(53)54)46-44-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12/h17-26H,1-16H3;13-24H,1-12H3;2*13-24H,1-12H3;13-24H,1-12H3/b49-47+,50-48+;53-51+,54-52+;2*47-45+,48-46+;45-43+,46-44+
InChIKeyOAJODJKIBUXHPX-RSDSXJTCSA-N
MW3822.76 g/mol
LogP66.96
Rot. Bonds36

About 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one

4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one (PubChem CID 159936996) has the molecular formula C216H250BrCl3F6N22O23 and a molecular weight of 3822.76 g/mol. Its IUPAC name is 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one.

Molecular Properties

Compound Name4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
PubChem CID159936996
Molecular FormulaC216H250BrCl3F6N22O23
Molecular Weight3822.76 g/mol
Exact Mass3817.72
IUPAC Name4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one
SMILESCC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(C(F)(F)F)c3)cc2C(F)(F)F)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(Cl)c3)cc2Cl)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3Br)c(Cl)c2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)C=C(C(C)(C)C)C1=O.COc1cc(Oc2cc(OC)c(/N=N/C=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c(OC)c2)cc(OC)c1/N=N/C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1
InChIInChI=1S/C46H58N4O7.C44H48F6N4O3.C42H48BrClN4O3.C42H48Cl2N4O3.C42H48N6O7/c1-43(2,3)31-17-27(18-32(41(31)51)44(4,5)6)25-47-49-39-35(53-13)21-29(22-36(39)54-14)57-30-23-37(55-15)40(38(24-30)56-16)50-48-26-28-19-33(45(7,8)9)42(52)34(20-28)46(10,11)12;1-39(2,3)31-17-25(18-32(37(31)55)40(4,5)6)23-51-53-35-15-13-27(21-29(35)43(45,46)47)57-28-14-16-36(30(22-28)44(48,49)50)54-52-24-26-19-33(41(7,8)9)38(56)34(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-45-47-27-13-15-35(33(43)21-27)51-36-16-14-28(22-34(36)44)48-46-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-45-47-35-15-13-27(21-33(35)43)51-28-14-16-36(34(44)22-28)48-46-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-43-45-27-13-15-35(33(21-27)47(51)52)55-36-16-14-28(22-34(36)48(53)54)46-44-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12/h17-26H,1-16H3;13-24H,1-12H3;2*13-24H,1-12H3;13-24H,1-12H3/b49-47+,50-48+;53-51+,54-52+;2*47-45+,48-46+;45-43+,46-44+
InChIKeyOAJODJKIBUXHPX-RSDSXJTCSA-N
XLogP66.96
TPSA587.25 Ų
H-Bond Donors
H-Bond Acceptors43
Rotatable Bonds36
Heavy Atoms271
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003822.76
LogP ≤ 566.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1043

Analyze 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one with MolForge

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Related Compounds

4-(2-methoxyphenoxy)-1-nitro-2-(trifluoromethyl)benzene
CID 141135704
2-bromo-4-(4-chloro-2-nitrophenoxy)-1-fluorobenzene
CID 83235030
4-(2-bromo-4-fluorophenoxy)-2-methoxy-1-nitrobenzene
CID 63672086
1-bromo-2-methoxy-4-nitro-5-(trifluoromethyl)benzene
CID 171000191
5-[2-chloro-4-(trifluoromethyl)phenoxy]-N-hydroxy-N'-methylsulfonyl-2-nitrobenzenecarboximidamide
CID 154043596
3-bromo-2-[4-chloro-3-(trifluoromethyl)phenoxy]-6-methyl-5-nitropyridine
CID 58153380
N-tert-butyl-5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroaniline
CID 70464956
N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]sulfanyl-4-methoxy-N-methylbenzenesulfonamide
CID 13472670
1-[3-chloro-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl]-N-(4-ethylphenyl)methanimine
CID 126216100
6-[5-chloro-2-nitro-4-(trifluoromethyl)phenoxy]-3,4-dihydro-1H-quinolin-2-one
CID 99810680
2-nitro-1,4-bis[2-(trifluoromethyl)phenoxy]benzene
CID 97178511
2-nitro-1-[2-nitro-4-[2-(trifluoromethyl)phenyl]phenoxy]-4-[2-(trifluoromethyl)phenyl]benzene
CID 86735504

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
The IUPAC name of 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one (CID 159936996) is 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one.
What is the SMILES notation for 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
The canonical SMILES for 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one is CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(C(F)(F)F)c3)cc2C(F)(F)F)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)c(Cl)c3)cc2Cl)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3Br)c(Cl)c2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=C/N=N/c2ccc(Oc3ccc(/N=N/C=C4C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C4)cc3[N+](=O)[O-])c([N+](=O)[O-])c2)C=C(C(C)(C)C)C1=O.COc1cc(Oc2cc(OC)c(/N=N/C=C3C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C3)c(OC)c2)cc(OC)c1/N=N/C=C1C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C1.
What is the InChIKey of 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
The InChIKey is OAJODJKIBUXHPX-RSDSXJTCSA-N. The full InChI is InChI=1S/C46H58N4O7.C44H48F6N4O3.C42H48BrClN4O3.C42H48Cl2N4O3.C42H48N6O7/c1-43(2,3)31-17-27(18-32(41(31)51)44(4,5)6)25-47-49-39-35(53-13)21-29(22-36(39)54-14)57-30-23-37(55-15)40(38(24-30)56-16)50-48-26-28-19-33(45(7,8)9)42(52)34(20-28)46(10,11)12;1-39(2,3)31-17-25(18-32(37(31)55)40(4,5)6)23-51-53-35-15-13-27(21-29(35)43(45,46)47)57-28-14-16-36(30(22-28)44(48,49)50)54-52-24-26-19-33(41(7,8)9)38(56)34(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-45-47-27-13-15-35(33(43)21-27)51-36-16-14-28(22-34(36)44)48-46-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-45-47-35-15-13-27(21-33(35)43)51-28-14-16-36(34(44)22-28)48-46-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12;1-39(2,3)29-17-25(18-30(37(29)49)40(4,5)6)23-43-45-27-13-15-35(33(21-27)47(51)52)55-36-16-14-28(22-34(36)48(53)54)46-44-24-26-19-31(41(7,8)9)38(50)32(20-26)42(10,11)12/h17-26H,1-16H3;13-24H,1-12H3;2*13-24H,1-12H3;13-24H,1-12H3/b49-47+,50-48+;53-51+,54-52+;2*47-45+,48-46+;45-43+,46-44+.
What are the key properties of 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one?
4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one has a molecular weight of 3822.76 g/mol, XLogP of 66.96, 36 rotatable bonds, 0 hydrogen bond donors, and 43 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-[2-bromo-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]-3-chlorophenyl]diazenyl]methylidene]-2,6-ditert-butylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[2-chloro-4-[3-chloro-4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]phenoxy]phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3,5-dimethoxyphenoxy]-2,6-dimethoxyphenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-2-nitrophenoxy]-3-nitrophenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[[[4-[4-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyldiazenyl]-3-(trifluoromethyl)phenoxy]-2-(trifluoromethyl)phenyl]diazenyl]methylidene]cyclohexa-2,5-dien-1-one is sourced from PubChem (CID 159936996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).