2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene

C185H223BF6N16O3 — CID 160821158

About 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene

2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene (PubChem CID 160821158) has the molecular formula C185H223BF6N16O3 and a molecular weight of 2843.73 g/mol. Its IUPAC name is 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene.

Molecular Properties

• Compound Name: 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene
• PubChem CID: 160821158
• Molecular Formula: C185H223BF6N16O3
• Molecular Weight: 2843.73 g/mol
• Exact Mass: 2841.78
• IUPAC Name: 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene
• SMILES: C/C=C/c1ccccc1C.C=C(/C=C(\C)C(C)(C)C)C(C)(C)C.C=C(/C=C(\C)C(F)(F)F)C(F)(F)F.C=C(/C=C(\C)c1ccccc1)c1ccccc1.C=C(C)C=C(C)C.CNc1cccc2cccnc12.Cc1cc(-c2nc(C)c(C)c(C)c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)c(C)c3c(C)c(C)c(C)c(C)c23)c(C)c(C)c1C.Cc1cc(-c2nc(C)c3c(C)c(C)c(C)c(C)c3c2C)c(C)c(C)c1C.Cc1cc(-c2nc3c(C)c(C)c(C)c(C)c3c(C)c2C)c(C)c(C)c1C.O=C(O)c1ccccn1.Oc1cccc2cccnc12.c1cnn([B-](n2cccn2)(n2cccn2)[n+]2ccc[nH]2)c1
• InChI: InChI=1S/3C25H31N.C19H25N.C17H16.C13H24.C12H13BN8.C10H10N2.C10H12.C9H7NO.C7H6F6.C7H12.C6H5NO2/c1-12-11-22(17(6)14(3)13(12)2)24-21(10)19(8)23-18(7)15(4)16(5)20(9)25(23)26-24;1-12-11-22(17(6)14(3)13(12)2)25-20(9)23-18(7)15(4)16(5)19(8)24(23)21(10)26-25;1-12-11-22(17(6)14(3)13(12)2)25-24-19(8)16(5)15(4)18(7)23(24)20(9)21(10)26-25;1-10-9-18(15(6)12(3)11(10)2)19-16(7)13(4)14(5)17(8)20-19;1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;1-10(12(3,4)5)9-11(2)13(6,7)8;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;1-11-9-6-2-4-8-5-3-7-12-10(8)9;1-3-6-10-8-5-4-7-9(10)2;11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(6(8,9)10)3-5(2)7(11,12)13;1-6(2)5-7(3)4;8-6(9)5-3-1-2-4-7-5/h3*11H,1-10H3;9H,1-8H3;3-13H,1H2,2H3;9H,1H2,2-8H3;1-12,14H;2-7,11H,1H3;3-8H,1-2H3;1-6,11H;3H,1H2,2H3;5H,1H2,2-4H3;1-4H,(H,8,9)/b;;;;15-13+;11-9+;;;6-3+;;5-3+
• InChIKey: SFOJRQDAPVZTHH-SWWHWVKGSA-N
• XLogP: 49.55
• TPSA: 232.92 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 17
• Heavy Atoms: 211
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2843.73
LogP ≤ 5	49.55
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?

The IUPAC name of 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene (CID 160821158) is 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene.

What is the SMILES notation for 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?

The canonical SMILES for 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene is C/C=C/c1ccccc1C.C=C(/C=C(\C)C(C)(C)C)C(C)(C)C.C=C(/C=C(\C)C(F)(F)F)C(F)(F)F.C=C(/C=C(\C)c1ccccc1)c1ccccc1.C=C(C)C=C(C)C.CNc1cccc2cccnc12.Cc1cc(-c2nc(C)c(C)c(C)c2C)c(C)c(C)c1C.Cc1cc(-c2nc(C)c(C)c3c(C)c(C)c(C)c(C)c23)c(C)c(C)c1C.Cc1cc(-c2nc(C)c3c(C)c(C)c(C)c(C)c3c2C)c(C)c(C)c1C.Cc1cc(-c2nc3c(C)c(C)c(C)c(C)c3c(C)c2C)c(C)c(C)c1C.O=C(O)c1ccccn1.Oc1cccc2cccnc12.c1cnn([B-](n2cccn2)(n2cccn2)[n+]2ccc[nH]2)c1.

What is the InChIKey of 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?

The InChIKey is SFOJRQDAPVZTHH-SWWHWVKGSA-N. The full InChI is InChI=1S/3C25H31N.C19H25N.C17H16.C13H24.C12H13BN8.C10H10N2.C10H12.C9H7NO.C7H6F6.C7H12.C6H5NO2/c1-12-11-22(17(6)14(3)13(12)2)24-21(10)19(8)23-18(7)15(4)16(5)20(9)25(23)26-24;1-12-11-22(17(6)14(3)13(12)2)25-20(9)23-18(7)15(4)16(5)19(8)24(23)21(10)26-25;1-12-11-22(17(6)14(3)13(12)2)25-24-19(8)16(5)15(4)18(7)23(24)20(9)21(10)26-25;1-10-9-18(15(6)12(3)11(10)2)19-16(7)13(4)14(5)17(8)20-19;1-14(16-9-5-3-6-10-16)13-15(2)17-11-7-4-8-12-17;1-10(12(3,4)5)9-11(2)13(6,7)8;1-5-14-18(9-1)13(19-10-2-6-15-19,20-11-3-7-16-20)21-12-4-8-17-21;1-11-9-6-2-4-8-5-3-7-12-10(8)9;1-3-6-10-8-5-4-7-9(10)2;11-8-5-1-3-7-4-2-6-10-9(7)8;1-4(6(8,9)10)3-5(2)7(11,12)13;1-6(2)5-7(3)4;8-6(9)5-3-1-2-4-7-5/h3*11H,1-10H3;9H,1-8H3;3-13H,1H2,2H3;9H,1H2,2-8H3;1-12,14H;2-7,11H,1H3;3-8H,1-2H3;1-6,11H;3H,1H2,2H3;5H,1H2,2-4H3;1-4H,(H,8,9)/b;;;;15-13+;11-9+;;;6-3+;;5-3+;;.

What are the key properties of 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene?

2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene has a molecular weight of 2843.73 g/mol, XLogP of 49.55, 17 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethylpenta-1,3-diene;1,4,5,6,7,8-hexamethyl-3-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-1-(2,3,4,5-tetramethylphenyl)isoquinoline;3,4,5,6,7,8-hexamethyl-2-(2,3,4,5-tetramethylphenyl)quinoline;1-methyl-2-[(E)-prop-1-enyl]benzene;N-methylquinolin-8-amine;(E)-2,2,3,6,6-pentamethyl-5-methylidenehept-3-ene;[(2E)-4-phenylpenta-2,4-dien-2-yl]benzene;1H-pyrazol-2-ium-2-yl-tri(pyrazol-1-yl)boranuide;pyridine-2-carboxylic acid;quinolin-8-ol;2,3,4,5-tetramethyl-6-(2,3,4,5-tetramethylphenyl)pyridine;(3E)-5,5,5-trifluoro-4-methyl-2-(trifluoromethyl)penta-1,3-diene is sourced from PubChem (CID 160821158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).