3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline

C208H222F3N21O7 — CID 161009920

About 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline

3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline (PubChem CID 161009920) has the molecular formula C208H222F3N21O7 and a molecular weight of 3185.20 g/mol. Its IUPAC name is 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline.

Molecular Properties

• Compound Name: 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline
• PubChem CID: 161009920
• Molecular Formula: C208H222F3N21O7
• Molecular Weight: 3185.20 g/mol
• Exact Mass: 3182.76
• IUPAC Name: 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline
• SMILES: C=Cc1c(C)ncc2c1c1ccccc1n2C.CC(C)=CCCC(C)c1cncc(C)c1.CCCCC/C=C/c1ccncc1C.CCCCCc1cncc(C)c1-c1ccccc1.Cc1cnc(C(=O)CC(C)C)c2c1c1ccccc1n2C.Cc1cncc(Cc2ccc(C(F)(F)F)cc2)c1C.Cc1cncc(Cc2ccc([N+](=O)[O-])cc2)c1C.Cc1cncc(Cc2cccc3ccccc23)c1C.Cc1cncc(Cc2ccccc2)c1C.Cc1cncc2c1CCCC2.Cc1cnccc1-c1cc2ccccc2n1C.Cc1cnccc1-c1ccc([N+](=O)[O-])cc1.Cc1cnccc1-c1ccco1.Cn1c(C(O)Cc2cncc3c2c2ccccc2n3C)cc2ccccc21
• InChI: InChI=1S/C23H21N3O.C18H20N2O.C18H17N.C17H21N.C15H14F3N.2C15H14N2.C14H14N2O2.C14H15N.C14H21N.C13H19N.C12H10N2O2.C10H9NO.C10H13N/c1-25-18-9-5-3-7-15(18)11-20(25)22(27)12-16-13-24-14-21-23(16)17-8-4-6-10-19(17)26(21)2;1-11(2)9-15(21)17-18-16(12(3)10-19-17)13-7-5-6-8-14(13)20(18)4;1-13-11-19-12-17(14(13)2)10-16-8-5-7-15-6-3-4-9-18(15)16;1-3-4-6-11-16-13-18-12-14(2)17(16)15-9-7-5-8-10-15;1-10-8-19-9-13(11(10)2)7-12-3-5-14(6-4-12)15(16,17)18;1-11-10-16-8-7-13(11)15-9-12-5-3-4-6-14(12)17(15)2;1-4-11-10(2)16-9-14-15(11)12-7-5-6-8-13(12)17(14)3;1-10-8-15-9-13(11(10)2)7-12-3-5-14(6-4-12)16(17)18;1-11-9-15-10-14(12(11)2)8-13-6-4-3-5-7-13;1-11(2)6-5-7-13(4)14-8-12(3)9-15-10-14;1-3-4-5-6-7-8-13-9-10-14-11-12(13)2;1-9-8-13-7-6-12(9)10-2-4-11(5-3-10)14(15)16;1-8-7-11-5-4-9(8)10-3-2-6-12-10;1-8-6-11-7-9-4-2-3-5-10(8)9/h3-11,13-14,22,27H,12H2,1-2H3;5-8,10-11H,9H2,1-4H3;3-9,11-12H,10H2,1-2H3;5,7-10,12-13H,3-4,6,11H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;4-9H,1H2,2-3H3;3-6,8-9H,7H2,1-2H3;3-7,9-10H,8H2,1-2H3;6,8-10,13H,5,7H2,1-4H3;7-11H,3-6H2,1-2H3;2-8H,1H3;2-7H,1H3;6-7H,2-5H2,1H3/b;;;;;;;;;;8-7+
• InChIKey: TWZPMPYYWQEUMO-IHCXMNSXSA-N
• XLogP: 52.12
• TPSA: 341.83 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 34
• Heavy Atoms: 239
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3185.20
LogP ≤ 5	52.12
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline?

The IUPAC name of 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline (CID 161009920) is 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline.

What is the SMILES notation for 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline?

The canonical SMILES for 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline is C=Cc1c(C)ncc2c1c1ccccc1n2C.CC(C)=CCCC(C)c1cncc(C)c1.CCCCC/C=C/c1ccncc1C.CCCCCc1cncc(C)c1-c1ccccc1.Cc1cnc(C(=O)CC(C)C)c2c1c1ccccc1n2C.Cc1cncc(Cc2ccc(C(F)(F)F)cc2)c1C.Cc1cncc(Cc2ccc([N+](=O)[O-])cc2)c1C.Cc1cncc(Cc2cccc3ccccc23)c1C.Cc1cncc(Cc2ccccc2)c1C.Cc1cncc2c1CCCC2.Cc1cnccc1-c1cc2ccccc2n1C.Cc1cnccc1-c1ccc([N+](=O)[O-])cc1.Cc1cnccc1-c1ccco1.Cn1c(C(O)Cc2cncc3c2c2ccccc2n3C)cc2ccccc21.

What is the InChIKey of 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline?

The InChIKey is TWZPMPYYWQEUMO-IHCXMNSXSA-N. The full InChI is InChI=1S/C23H21N3O.C18H20N2O.C18H17N.C17H21N.C15H14F3N.2C15H14N2.C14H14N2O2.C14H15N.C14H21N.C13H19N.C12H10N2O2.C10H9NO.C10H13N/c1-25-18-9-5-3-7-15(18)11-20(25)22(27)12-16-13-24-14-21-23(16)17-8-4-6-10-19(17)26(21)2;1-11(2)9-15(21)17-18-16(12(3)10-19-17)13-7-5-6-8-14(13)20(18)4;1-13-11-19-12-17(14(13)2)10-16-8-5-7-15-6-3-4-9-18(15)16;1-3-4-6-11-16-13-18-12-14(2)17(16)15-9-7-5-8-10-15;1-10-8-19-9-13(11(10)2)7-12-3-5-14(6-4-12)15(16,17)18;1-11-10-16-8-7-13(11)15-9-12-5-3-4-6-14(12)17(15)2;1-4-11-10(2)16-9-14-15(11)12-7-5-6-8-13(12)17(14)3;1-10-8-15-9-13(11(10)2)7-12-3-5-14(6-4-12)16(17)18;1-11-9-15-10-14(12(11)2)8-13-6-4-3-5-7-13;1-11(2)6-5-7-13(4)14-8-12(3)9-15-10-14;1-3-4-5-6-7-8-13-9-10-14-11-12(13)2;1-9-8-13-7-6-12(9)10-2-4-11(5-3-10)14(15)16;1-8-7-11-5-4-9(8)10-3-2-6-12-10;1-8-6-11-7-9-4-2-3-5-10(8)9/h3-11,13-14,22,27H,12H2,1-2H3;5-8,10-11H,9H2,1-4H3;3-9,11-12H,10H2,1-2H3;5,7-10,12-13H,3-4,6,11H2,1-2H3;3-6,8-9H,7H2,1-2H3;3-10H,1-2H3;4-9H,1H2,2-3H3;3-6,8-9H,7H2,1-2H3;3-7,9-10H,8H2,1-2H3;6,8-10,13H,5,7H2,1-4H3;7-11H,3-6H2,1-2H3;2-8H,1H3;2-7H,1H3;6-7H,2-5H2,1H3/b;;;;;;;;;;8-7+;;;.

What are the key properties of 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline?

3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline has a molecular weight of 3185.20 g/mol, XLogP of 52.12, 34 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-benzyl-4,5-dimethylpyridine;3,4-dimethyl-5-(naphthalen-1-ylmethyl)pyridine;3,4-dimethyl-5-[(4-nitrophenyl)methyl]pyridine;1-(4,9-dimethylpyrido[3,4-b]indol-1-yl)-3-methylbutan-1-one;3,4-dimethyl-5-[[4-(trifluoromethyl)phenyl]methyl]pyridine;4-ethenyl-3,9-dimethylpyrido[3,4-b]indole;4-(furan-2-yl)-3-methylpyridine;4-[(E)-hept-1-enyl]-3-methylpyridine;1-(1-methylindol-2-yl)-2-(9-methylpyrido[3,4-b]indol-4-yl)ethanol;3-methyl-5-(6-methylhept-5-en-2-yl)pyridine;1-methyl-2-(3-methyl-4-pyridinyl)indole;3-methyl-4-(4-nitrophenyl)pyridine;3-methyl-5-pentyl-4-phenylpyridine;4-methyl-5,6,7,8-tetrahydroisoquinoline is sourced from PubChem (CID 161009920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).