(4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one

C329H360F6O26 — CID 160940965

IUPAC(4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one
SMILESCC(C)(C)C1=C/C(=C2/C=C(C(C)(C)C)C(=O)c3ccccc32)c2ccccc2C1=O.CC(C)(C)C1=CC(=CC=C2C=C(C(F)(F)F)C(=O)C(C(F)(F)F)=C2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=CC=C2C=C(C3CCCCC3)C(=O)C(C3CCCCC3)=C2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=CC=C2C=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)C=C(C(C)(C)C)C1=O.CC1=C/C(=C2/C=C(C)C(=O)c3ccccc32)c2ccccc2C1=O.CC1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)C=C(C)C1=O.CCC(C)(CC)C1=C/C(=C2/C=C(C(C)(CC)CC)C(=O)c3ccccc32)c2ccccc2C1=O.CCC(C)C1=C/C(=C2/C=C(C(C)CC)C(=O)c3ccccc32)c2ccccc2C1=O.COC1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(OC)C1=O
InChIInChI=1S/C34H46O2.C34H34O2.C32H36O2.C28H28O2.C28H22O2.C28H28O2.C27H36O2.C24H24F6O2.C24H30O4.2C24H30O2.C22H16O2/c2*1-33(2,3)29-21-24(22-30(32(29)36)34(4,5)6)18-17-23-19-27(25-13-9-7-10-14-25)31(35)28(20-23)26-15-11-8-12-16-26;1-7-31(5,8-2)27-19-25(21-15-11-13-17-23(21)29(27)33)26-20-28(32(6,9-3)10-4)30(34)24-18-14-12-16-22(24)26;1-27(2,3)23-15-21(17-11-7-9-13-19(17)25(23)29)22-16-24(28(4,5)6)26(30)20-14-10-8-12-18(20)22;1-19-15-21(16-20(2)27(19)29)13-14-22-17-25(23-9-5-3-6-10-23)28(30)26(18-22)24-11-7-4-8-12-24;1-5-17(3)23-15-25(19-11-7-9-13-21(19)27(23)29)26-16-24(18(4)6-2)28(30)22-14-10-8-12-20(22)26;1-17-13-18(14-20(23(17)28)25(2,3)4)11-12-19-15-21(26(5,6)7)24(29)22(16-19)27(8,9)10;1-21(2,3)15-9-13(10-16(19(15)31)22(4,5)6)7-8-14-11-17(23(25,26)27)20(32)18(12-14)24(28,29)30;1-23(2,3)17-11-15(12-18(21(17)25)24(4,5)6)9-10-16-13-19(27-7)22(26)20(14-16)28-8;2*1-15-11-17(13-19(21(15)25)23(3,4)5)9-10-18-12-16(2)22(26)20(14-18)24(6,7)8;1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h17-22,25-26H,7-16H2,1-6H3;7-22H,1-6H3;11-20H,7-10H2,1-6H3;7-16H,1-6H3;3-18H,1-2H3;7-18H,5-6H2,1-4H3;11-16H,1-10H3;7-12H,1-6H3;9-14H,1-8H3;2*9-14H,1-8H3;3-12H,1-2H3/b;;26-25+;22-21+;;26-25+;;;;;;20-19+
InChIKeySUMRWWPCEROPPR-VBHMRRLGSA-N
MW4844.46 g/mol
LogP80.88
Rot. Bonds26

About (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one

(4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one (PubChem CID 160940965) has the molecular formula C329H360F6O26 and a molecular weight of 4844.46 g/mol. Its IUPAC name is (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one.

Molecular Properties

Compound Name(4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one
PubChem CID160940965
Molecular FormulaC329H360F6O26
Molecular Weight4844.46 g/mol
Exact Mass4840.68
IUPAC Name(4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one
SMILESCC(C)(C)C1=C/C(=C2/C=C(C(C)(C)C)C(=O)c3ccccc32)c2ccccc2C1=O.CC(C)(C)C1=CC(=CC=C2C=C(C(F)(F)F)C(=O)C(C(F)(F)F)=C2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=CC=C2C=C(C3CCCCC3)C(=O)C(C3CCCCC3)=C2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=CC=C2C=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)C=C(C(C)(C)C)C1=O.CC1=C/C(=C2/C=C(C)C(=O)c3ccccc32)c2ccccc2C1=O.CC1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)C=C(C)C1=O.CCC(C)(CC)C1=C/C(=C2/C=C(C(C)(CC)CC)C(=O)c3ccccc32)c2ccccc2C1=O.CCC(C)C1=C/C(=C2/C=C(C(C)CC)C(=O)c3ccccc32)c2ccccc2C1=O.COC1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(OC)C1=O
InChIInChI=1S/C34H46O2.C34H34O2.C32H36O2.C28H28O2.C28H22O2.C28H28O2.C27H36O2.C24H24F6O2.C24H30O4.2C24H30O2.C22H16O2/c2*1-33(2,3)29-21-24(22-30(32(29)36)34(4,5)6)18-17-23-19-27(25-13-9-7-10-14-25)31(35)28(20-23)26-15-11-8-12-16-26;1-7-31(5,8-2)27-19-25(21-15-11-13-17-23(21)29(27)33)26-20-28(32(6,9-3)10-4)30(34)24-18-14-12-16-22(24)26;1-27(2,3)23-15-21(17-11-7-9-13-19(17)25(23)29)22-16-24(28(4,5)6)26(30)20-14-10-8-12-18(20)22;1-19-15-21(16-20(2)27(19)29)13-14-22-17-25(23-9-5-3-6-10-23)28(30)26(18-22)24-11-7-4-8-12-24;1-5-17(3)23-15-25(19-11-7-9-13-21(19)27(23)29)26-16-24(18(4)6-2)28(30)22-14-10-8-12-20(22)26;1-17-13-18(14-20(23(17)28)25(2,3)4)11-12-19-15-21(26(5,6)7)24(29)22(16-19)27(8,9)10;1-21(2,3)15-9-13(10-16(19(15)31)22(4,5)6)7-8-14-11-17(23(25,26)27)20(32)18(12-14)24(28,29)30;1-23(2,3)17-11-15(12-18(21(17)25)24(4,5)6)9-10-16-13-19(27-7)22(26)20(14-16)28-8;2*1-15-11-17(13-19(21(15)25)23(3,4)5)9-10-18-12-16(2)22(26)20(14-18)24(6,7)8;1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h17-22,25-26H,7-16H2,1-6H3;7-22H,1-6H3;11-20H,7-10H2,1-6H3;7-16H,1-6H3;3-18H,1-2H3;7-18H,5-6H2,1-4H3;11-16H,1-10H3;7-12H,1-6H3;9-14H,1-8H3;2*9-14H,1-8H3;3-12H,1-2H3/b;;26-25+;22-21+;;26-25+;;;;;;20-19+
InChIKeySUMRWWPCEROPPR-VBHMRRLGSA-N
XLogP80.88
TPSA428.14 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds26
Heavy Atoms361
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004844.46
LogP ≤ 580.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

Analyze (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?
The IUPAC name of (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one (CID 160940965) is (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one.
What is the SMILES notation for (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?
The canonical SMILES for (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one is CC(C)(C)C1=C/C(=C2/C=C(C(C)(C)C)C(=O)c3ccccc32)c2ccccc2C1=O.CC(C)(C)C1=CC(=CC=C2C=C(C(F)(F)F)C(=O)C(C(F)(F)F)=C2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=CC=C2C=C(C3CCCCC3)C(=O)C(C3CCCCC3)=C2)C=C(C(C)(C)C)C1=O.CC(C)(C)C1=CC(=CC=C2C=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)C=C(C(C)(C)C)C1=O.CC1=C/C(=C2/C=C(C)C(=O)c3ccccc32)c2ccccc2C1=O.CC1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(C)C(=O)C(C(C)(C)C)=C2)C=C(C(C)(C)C)C1=O.CC1=CC(=CC=C2C=C(c3ccccc3)C(=O)C(c3ccccc3)=C2)C=C(C)C1=O.CCC(C)(CC)C1=C/C(=C2/C=C(C(C)(CC)CC)C(=O)c3ccccc32)c2ccccc2C1=O.CCC(C)C1=C/C(=C2/C=C(C(C)CC)C(=O)c3ccccc32)c2ccccc2C1=O.COC1=CC(=CC=C2C=C(C(C)(C)C)C(=O)C(C(C)(C)C)=C2)C=C(OC)C1=O.
What is the InChIKey of (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?
The InChIKey is SUMRWWPCEROPPR-VBHMRRLGSA-N. The full InChI is InChI=1S/C34H46O2.C34H34O2.C32H36O2.C28H28O2.C28H22O2.C28H28O2.C27H36O2.C24H24F6O2.C24H30O4.2C24H30O2.C22H16O2/c2*1-33(2,3)29-21-24(22-30(32(29)36)34(4,5)6)18-17-23-19-27(25-13-9-7-10-14-25)31(35)28(20-23)26-15-11-8-12-16-26;1-7-31(5,8-2)27-19-25(21-15-11-13-17-23(21)29(27)33)26-20-28(32(6,9-3)10-4)30(34)24-18-14-12-16-22(24)26;1-27(2,3)23-15-21(17-11-7-9-13-19(17)25(23)29)22-16-24(28(4,5)6)26(30)20-14-10-8-12-18(20)22;1-19-15-21(16-20(2)27(19)29)13-14-22-17-25(23-9-5-3-6-10-23)28(30)26(18-22)24-11-7-4-8-12-24;1-5-17(3)23-15-25(19-11-7-9-13-21(19)27(23)29)26-16-24(18(4)6-2)28(30)22-14-10-8-12-20(22)26;1-17-13-18(14-20(23(17)28)25(2,3)4)11-12-19-15-21(26(5,6)7)24(29)22(16-19)27(8,9)10;1-21(2,3)15-9-13(10-16(19(15)31)22(4,5)6)7-8-14-11-17(23(25,26)27)20(32)18(12-14)24(28,29)30;1-23(2,3)17-11-15(12-18(21(17)25)24(4,5)6)9-10-16-13-19(27-7)22(26)20(14-16)28-8;2*1-15-11-17(13-19(21(15)25)23(3,4)5)9-10-18-12-16(2)22(26)20(14-18)24(6,7)8;1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h17-22,25-26H,7-16H2,1-6H3;7-22H,1-6H3;11-20H,7-10H2,1-6H3;7-16H,1-6H3;3-18H,1-2H3;7-18H,5-6H2,1-4H3;11-16H,1-10H3;7-12H,1-6H3;9-14H,1-8H3;2*9-14H,1-8H3;3-12H,1-2H3/b;;26-25+;22-21+;;26-25+;;;;;;20-19+.
What are the key properties of (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one?
(4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one has a molecular weight of 4844.46 g/mol, XLogP of 80.88, 26 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-2-butan-2-yl-4-(3-butan-2-yl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;bis(2-tert-butyl-4-[2-(3-tert-butyl-5-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one);(4E)-2-tert-butyl-4-(3-tert-butyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;2-tert-butyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-6-methylcyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-(3,5-dimethoxy-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-ditert-butyl-4-[2-[4-oxo-3,5-bis(trifluoromethyl)cyclohexa-2,5-dien-1-ylidene]ethylidene]cyclohexa-2,5-dien-1-one;4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]-2,6-diphenylcyclohexa-2,5-dien-1-one;2,6-dicyclohexyl-4-[2-(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;2,6-dimethyl-4-[2-(4-oxo-3,5-diphenylcyclohexa-2,5-dien-1-ylidene)ethylidene]cyclohexa-2,5-dien-1-one;(4E)-2-methyl-4-(3-methyl-4-oxonaphthalen-1-ylidene)naphthalen-1-one;(4E)-2-(3-methylpentan-3-yl)-4-[3-(3-methylpentan-3-yl)-4-oxonaphthalen-1-ylidene]naphthalen-1-one is sourced from PubChem (CID 160940965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).