(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one

C144H154Br2Cl4N4O13 — CID 159828202

IUPAC(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
SMILESCC(C)C1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1.CC(C)C1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.CC(C)C1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1.CC(C)C1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1.COc1cc(/C=C2\CC(C(C)C)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(C)c1C.COc1cccc(C)c1/C=C1\CC(C(C)C)C/C(=C\c2c(OC)cccc2OC)C1=O
InChIInChI=1S/C29H36O5.C27H32O4.C23H22Br2O.C23H20Cl4O.2C21H22N2O/c1-17(2)22-15-23(10-20-9-18(3)19(4)25(12-20)31-5)28(30)24(16-22)11-21-13-26(32-6)29(34-8)27(14-21)33-7;1-17(2)19-13-20(15-22-18(3)9-7-10-24(22)29-4)27(28)21(14-19)16-23-25(30-5)11-8-12-26(23)31-6;1-15(2)18-13-19(11-16-3-7-21(24)8-4-16)23(26)20(14-18)12-17-5-9-22(25)10-6-17;1-13(2)16-11-17(7-14-3-5-19(24)21(26)9-14)23(28)18(12-16)8-15-4-6-20(25)22(27)10-15;1-15(2)18-11-19(9-16-5-3-7-22-13-16)21(24)20(12-18)10-17-6-4-8-23-14-17;1-15(2)16-11-17(13-19-7-3-5-9-22-19)21(24)18(12-16)14-20-8-4-6-10-23-20/h9-14,17,22H,15-16H2,1-8H3;7-12,15-17,19H,13-14H2,1-6H3;3-12,15,18H,13-14H2,1-2H3;3-10,13,16H,11-12H2,1-2H3;3-10,13-15,18H,11-12H2,1-2H3;3-10,13-16H,11-12H2,1-2H3/b23-10+,24-11+;20-15+,21-16+;19-11+,20-12+;17-7+,18-8+;19-9+,20-10+;17-13+,18-14+
InChIKeyNNCSEICHKGEUPA-GHLMUGHASA-N
MW2450.45 g/mol
LogP37.44
Rot. Bonds25

About (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one

(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one (PubChem CID 159828202) has the molecular formula C144H154Br2Cl4N4O13 and a molecular weight of 2450.45 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one.

Molecular Properties

Compound Name(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
PubChem CID159828202
Molecular FormulaC144H154Br2Cl4N4O13
Molecular Weight2450.45 g/mol
Exact Mass2444.86
IUPAC Name(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
SMILESCC(C)C1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1.CC(C)C1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.CC(C)C1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1.CC(C)C1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1.COc1cc(/C=C2\CC(C(C)C)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(C)c1C.COc1cccc(C)c1/C=C1\CC(C(C)C)C/C(=C\c2c(OC)cccc2OC)C1=O
InChIInChI=1S/C29H36O5.C27H32O4.C23H22Br2O.C23H20Cl4O.2C21H22N2O/c1-17(2)22-15-23(10-20-9-18(3)19(4)25(12-20)31-5)28(30)24(16-22)11-21-13-26(32-6)29(34-8)27(14-21)33-7;1-17(2)19-13-20(15-22-18(3)9-7-10-24(22)29-4)27(28)21(14-19)16-23-25(30-5)11-8-12-26(23)31-6;1-15(2)18-13-19(11-16-3-7-21(24)8-4-16)23(26)20(14-18)12-17-5-9-22(25)10-6-17;1-13(2)16-11-17(7-14-3-5-19(24)21(26)9-14)23(28)18(12-16)8-15-4-6-20(25)22(27)10-15;1-15(2)18-11-19(9-16-5-3-7-22-13-16)21(24)20(12-18)10-17-6-4-8-23-14-17;1-15(2)16-11-17(13-19-7-3-5-9-22-19)21(24)18(12-16)14-20-8-4-6-10-23-20/h9-14,17,22H,15-16H2,1-8H3;7-12,15-17,19H,13-14H2,1-6H3;3-12,15,18H,13-14H2,1-2H3;3-10,13,16H,11-12H2,1-2H3;3-10,13-15,18H,11-12H2,1-2H3;3-10,13-16H,11-12H2,1-2H3/b23-10+,24-11+;20-15+,21-16+;19-11+,20-12+;17-7+,18-8+;19-9+,20-10+;17-13+,18-14+
InChIKeyNNCSEICHKGEUPA-GHLMUGHASA-N
XLogP37.44
TPSA218.59 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds25
Heavy Atoms167
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002450.45
LogP ≤ 537.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_ene_A(57)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one?
The IUPAC name of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one (CID 159828202) is (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one.
What is the SMILES notation for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one?
The canonical SMILES for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one is CC(C)C1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1.CC(C)C1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.CC(C)C1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1.CC(C)C1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1.COc1cc(/C=C2\CC(C(C)C)C/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(C)c1C.COc1cccc(C)c1/C=C1\CC(C(C)C)C/C(=C\c2c(OC)cccc2OC)C1=O.
What is the InChIKey of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one?
The InChIKey is NNCSEICHKGEUPA-GHLMUGHASA-N. The full InChI is InChI=1S/C29H36O5.C27H32O4.C23H22Br2O.C23H20Cl4O.2C21H22N2O/c1-17(2)22-15-23(10-20-9-18(3)19(4)25(12-20)31-5)28(30)24(16-22)11-21-13-26(32-6)29(34-8)27(14-21)33-7;1-17(2)19-13-20(15-22-18(3)9-7-10-24(22)29-4)27(28)21(14-19)16-23-25(30-5)11-8-12-26(23)31-6;1-15(2)18-13-19(11-16-3-7-21(24)8-4-16)23(26)20(14-18)12-17-5-9-22(25)10-6-17;1-13(2)16-11-17(7-14-3-5-19(24)21(26)9-14)23(28)18(12-16)8-15-4-6-20(25)22(27)10-15;1-15(2)18-11-19(9-16-5-3-7-22-13-16)21(24)20(12-18)10-17-6-4-8-23-14-17;1-15(2)16-11-17(13-19-7-3-5-9-22-19)21(24)18(12-16)14-20-8-4-6-10-23-20/h9-14,17,22H,15-16H2,1-8H3;7-12,15-17,19H,13-14H2,1-6H3;3-12,15,18H,13-14H2,1-2H3;3-10,13,16H,11-12H2,1-2H3;3-10,13-15,18H,11-12H2,1-2H3;3-10,13-16H,11-12H2,1-2H3/b23-10+,24-11+;20-15+,21-16+;19-11+,20-12+;17-7+,18-8+;19-9+,20-10+;17-13+,18-14+.
What are the key properties of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one?
(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one has a molecular weight of 2450.45 g/mol, XLogP of 37.44, 25 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-propan-2-ylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-propan-2-yl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-propan-2-yl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one is sourced from PubChem (CID 159828202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).