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

C153H150Br2Cl4N4O17 — CID 158032031

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

(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one (PubChem CID 158032031) has the molecular formula C153H150Br2Cl4N4O17 and a molecular weight of 2618.51 g/mol. Its IUPAC name is (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one.

Molecular Properties

• Compound Name: (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
• PubChem CID: 158032031
• Molecular Formula: C153H150Br2Cl4N4O17
• Molecular Weight: 2618.51 g/mol
• Exact Mass: 2612.81
• IUPAC Name: (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one
• SMILES: CC1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1.CC1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.CC1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1.CC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1.COc1cc(/C=C2\CC(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\c2c(OC)cccc2OC)C1=O.COc1ccccc1/C=C1\COC/C(=C\c2ccccc2OC)C1=O
• InChI: InChI=1S/C27H32O5.C25H28O4.C21H18Br2O.C21H16Cl4O.C21H20O4.2C19H18N2O/c1-16-8-21(11-19-10-17(2)18(3)23(13-19)29-4)26(28)22(9-16)12-20-14-24(30-5)27(32-7)25(15-20)31-6;1-16-12-18(14-20-17(2)8-6-9-22(20)27-3)25(26)19(13-16)15-21-23(28-4)10-7-11-24(21)29-5;1-14-10-17(12-15-2-6-19(22)7-3-15)21(24)18(11-14)13-16-4-8-20(23)9-5-16;1-12-6-15(8-13-2-4-17(22)19(24)10-13)21(26)16(7-12)9-14-3-5-18(23)20(25)11-14;1-23-19-9-5-3-7-15(19)11-17-13-25-14-18(21(17)22)12-16-8-4-6-10-20(16)24-2;1-14-8-17(10-15-4-2-6-20-12-15)19(22)18(9-14)11-16-5-3-7-21-13-16;1-14-10-15(12-17-6-2-4-8-20-17)19(22)16(11-14)13-18-7-3-5-9-21-18/h10-16H,8-9H2,1-7H3;6-11,14-16H,12-13H2,1-5H3;2-9,12-14H,10-11H2,1H3;2-5,8-12H,6-7H2,1H3;3-12H,13-14H2,1-2H3;2-7,10-14H,8-9H2,1H3;2-9,12-14H,10-11H2,1H3/b21-11+,22-12+;18-14+,19-15+;17-12+,18-13+;15-8+,16-9+;17-11+,18-12+;17-10+,18-11+;15-12+,16-13+
• InChIKey: FHHIENMUGMEPQR-SEFKWXHSSA-N
• XLogP: 37.39
• TPSA: 263.35 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 23
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2618.51
LogP ≤ 5	37.39
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

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

The IUPAC name of (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one (CID 158032031) is (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one.

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

The canonical SMILES for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one is CC1C/C(=C\c2ccc(Br)cc2)C(=O)/C(=C/c2ccc(Br)cc2)C1.CC1C/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)/C(=C/c2ccc(Cl)c(Cl)c2)C1.CC1C/C(=C\c2ccccn2)C(=O)/C(=C/c2ccccn2)C1.CC1C/C(=C\c2cccnc2)C(=O)/C(=C/c2cccnc2)C1.COc1cc(/C=C2\CC(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\c2c(OC)cccc2OC)C1=O.COc1ccccc1/C=C1\COC/C(=C\c2ccccc2OC)C1=O.

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

The InChIKey is FHHIENMUGMEPQR-SEFKWXHSSA-N. The full InChI is InChI=1S/C27H32O5.C25H28O4.C21H18Br2O.C21H16Cl4O.C21H20O4.2C19H18N2O/c1-16-8-21(11-19-10-17(2)18(3)23(13-19)29-4)26(28)22(9-16)12-20-14-24(30-5)27(32-7)25(15-20)31-6;1-16-12-18(14-20-17(2)8-6-9-22(20)27-3)25(26)19(13-16)15-21-23(28-4)10-7-11-24(21)29-5;1-14-10-17(12-15-2-6-19(22)7-3-15)21(24)18(11-14)13-16-4-8-20(23)9-5-16;1-12-6-15(8-13-2-4-17(22)19(24)10-13)21(26)16(7-12)9-14-3-5-18(23)20(25)11-14;1-23-19-9-5-3-7-15(19)11-17-13-25-14-18(21(17)22)12-16-8-4-6-10-20(16)24-2;1-14-8-17(10-15-4-2-6-20-12-15)19(22)18(9-14)11-16-5-3-7-21-13-16;1-14-10-15(12-17-6-2-4-8-20-17)19(22)16(11-14)13-18-7-3-5-9-21-18/h10-16H,8-9H2,1-7H3;6-11,14-16H,12-13H2,1-5H3;2-9,12-14H,10-11H2,1H3;2-5,8-12H,6-7H2,1H3;3-12H,13-14H2,1-2H3;2-7,10-14H,8-9H2,1H3;2-9,12-14H,10-11H2,1H3/b21-11+,22-12+;18-14+,19-15+;17-12+,18-13+;15-8+,16-9+;17-11+,18-12+;17-10+,18-11+;15-12+,16-13+.

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

(2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one has a molecular weight of 2618.51 g/mol, XLogP of 37.39, 23 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (2E,6E)-2,6-bis[(4-bromophenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2,6-bis[(3,4-dichlorophenyl)methylidene]-4-methylcyclohexan-1-one;(3E,5E)-3,5-bis[(2-methoxyphenyl)methylidene]oxan-4-one;(2E,6E)-2-[(2,6-dimethoxyphenyl)methylidene]-6-[(2-methoxy-6-methylphenyl)methylidene]-4-methylcyclohexan-1-one;(2E,6E)-2-[(3-methoxy-4,5-dimethylphenyl)methylidene]-4-methyl-6-[(3,4,5-trimethoxyphenyl)methylidene]cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-2-ylmethylidene)cyclohexan-1-one;(2E,6E)-4-methyl-2,6-bis(pyridin-3-ylmethylidene)cyclohexan-1-one is sourced from PubChem (CID 158032031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).