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

C176H172Br2Cl4N2O21 — CID 159589835

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

(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one (PubChem CID 159589835) has the molecular formula C176H172Br2Cl4N2O21 and a molecular weight of 2952.92 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one.

Molecular Properties

• Compound Name: (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one
• PubChem CID: 159589835
• Molecular Formula: C176H172Br2Cl4N2O21
• Molecular Weight: 2952.92 g/mol
• Exact Mass: 2946.96
• IUPAC Name: (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one
• SMILES: COc1cc(/C=C2\CCC/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(C)c1C.COc1cccc(/C=C2\CCC/C(=C\c3cccc(C)c3)C2=O)c1.COc1cccc(/C=C2\CCC/C(=C\c3cccc(C)c3OC)C2=O)c1OC.COc1cccc(C)c1/C=C1\CCC/C(=C\c2c(OC)cccc2OC)C1=O.COc1ccccc1/C=C1\CCC/C(=C\c2ccccc2OC)C1=O.O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C\c1ccc(Br)cc1.O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(Cl)c(Cl)c1.O=C1/C(=C/c2cccnc2)CCC/C1=C\c1cccnc1
• InChI: InChI=1S/C26H30O5.2C24H26O4.C22H22O3.C22H22O2.C20H16Br2O.C20H14Cl4O.C18H16N2O/c1-16-10-18(13-22(28-3)17(16)2)11-20-8-7-9-21(25(20)27)12-19-14-23(29-4)26(31-6)24(15-19)30-5;1-16-8-5-11-21(26-2)19(16)14-17-9-6-10-18(24(17)25)15-20-22(27-3)12-7-13-23(20)28-4;1-16-8-5-11-19(23(16)27-3)14-17-9-6-10-18(22(17)25)15-20-12-7-13-21(26-2)24(20)28-4;1-24-20-12-5-3-8-16(20)14-18-10-7-11-19(22(18)23)15-17-9-4-6-13-21(17)25-2;1-16-6-3-7-17(12-16)13-19-9-5-10-20(22(19)23)14-18-8-4-11-21(15-18)24-2;21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15;21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13;21-18-16(10-14-4-2-8-19-12-14)6-1-7-17(18)11-15-5-3-9-20-13-15/h10-15H,7-9H2,1-6H3;2*5,7-8,11-15H,6,9-10H2,1-4H3;3-6,8-9,12-15H,7,10-11H2,1-2H3;3-4,6-8,11-15H,5,9-10H2,1-2H3;4-13H,1-3H2;4-11H,1-3H2;2-5,8-13H,1,6-7H2/b20-11+,21-12+;2*17-14+,18-15+;18-14+,19-15+;19-13+,20-14+;16-12+,17-13+;14-8+,15-9+;16-10+,17-11+
• InChIKey: MKCDJEBLSKOMQZ-HDPDYXHISA-N
• XLogP: 43.84
• TPSA: 282.33 Ų
• H-Bond Acceptors: 23
• Rotatable Bonds: 29
• Heavy Atoms: 205
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2952.92
LogP ≤ 5	43.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one?

The IUPAC name of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one (CID 159589835) is (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one.

What is the SMILES notation for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one?

The canonical SMILES for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one is COc1cc(/C=C2\CCC/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)cc(C)c1C.COc1cccc(/C=C2\CCC/C(=C\c3cccc(C)c3)C2=O)c1.COc1cccc(/C=C2\CCC/C(=C\c3cccc(C)c3OC)C2=O)c1OC.COc1cccc(C)c1/C=C1\CCC/C(=C\c2c(OC)cccc2OC)C1=O.COc1ccccc1/C=C1\CCC/C(=C\c2ccccc2OC)C1=O.O=C1/C(=C/c2ccc(Br)cc2)CCC/C1=C\c1ccc(Br)cc1.O=C1/C(=C/c2ccc(Cl)c(Cl)c2)CCC/C1=C\c1ccc(Cl)c(Cl)c1.O=C1/C(=C/c2cccnc2)CCC/C1=C\c1cccnc1.

What is the InChIKey of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one?

The InChIKey is MKCDJEBLSKOMQZ-HDPDYXHISA-N. The full InChI is InChI=1S/C26H30O5.2C24H26O4.C22H22O3.C22H22O2.C20H16Br2O.C20H14Cl4O.C18H16N2O/c1-16-10-18(13-22(28-3)17(16)2)11-20-8-7-9-21(25(20)27)12-19-14-23(29-4)26(31-6)24(15-19)30-5;1-16-8-5-11-21(26-2)19(16)14-17-9-6-10-18(24(17)25)15-20-22(27-3)12-7-13-23(20)28-4;1-16-8-5-11-19(23(16)27-3)14-17-9-6-10-18(22(17)25)15-20-12-7-13-21(26-2)24(20)28-4;1-24-20-12-5-3-8-16(20)14-18-10-7-11-19(22(18)23)15-17-9-4-6-13-21(17)25-2;1-16-6-3-7-17(12-16)13-19-9-5-10-20(22(19)23)14-18-8-4-11-21(15-18)24-2;21-18-8-4-14(5-9-18)12-16-2-1-3-17(20(16)23)13-15-6-10-19(22)11-7-15;21-16-6-4-12(10-18(16)23)8-14-2-1-3-15(20(14)25)9-13-5-7-17(22)19(24)11-13;21-18-16(10-14-4-2-8-19-12-14)6-1-7-17(18)11-15-5-3-9-20-13-15/h10-15H,7-9H2,1-6H3;2*5,7-8,11-15H,6,9-10H2,1-4H3;3-6,8-9,12-15H,7,10-11H2,1-2H3;3-4,6-8,11-15H,5,9-10H2,1-2H3;4-13H,1-3H2;4-11H,1-3H2;2-5,8-13H,1,6-7H2/b20-11+,21-12+;2*17-14+,18-15+;18-14+,19-15+;19-13+,20-14+;16-12+,17-13+;14-8+,15-9+;16-10+,17-11+.

What are the key properties of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one?

(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one has a molecular weight of 2952.92 g/mol, XLogP of 43.84, 29 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis[(2-methoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one;(2E,6E)-2-[(2,3-dimethoxyphenyl)methylidene]-6-[(2-methoxy-3-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-2-[(3-methoxyphenyl)methylidene]-6-[(3-methylphenyl)methylidene]cyclohexan-1-one is sourced from PubChem (CID 159589835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).