9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline

C93H97N9OS — CID 158048030

About 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline

9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline (PubChem CID 158048030) has the molecular formula C93H97N9OS and a molecular weight of 1388.93 g/mol. Its IUPAC name is 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline.

Molecular Properties

• Compound Name: 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline
• PubChem CID: 158048030
• Molecular Formula: C93H97N9OS
• Molecular Weight: 1388.93 g/mol
• Exact Mass: 1387.75
• IUPAC Name: 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline
• SMILES: Cc1c2ccccc2nc2ccccc12.Cc1ccc2c(C)cc(C)nc2c1.Cc1ccc2c(C)nc(C)cc2c1.Cc1ccc2cc(C)nc(C)c2c1.Cc1cccn1-c1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccnn1-c1ccccc1.Cc1nc(C)n(-c2ccccc2)c1C
• InChI: InChI=1S/C14H11N.C12H14N2.3C12H13N.C11H11N.C10H10N2.C5H6O.C5H6S/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-9-10(2)14(11(3)13-9)12-7-5-4-6-8-12;1-8-4-5-12-10(3)13-9(2)7-11(12)6-8;1-8-4-5-11-7-9(2)13-10(3)12(11)6-8;1-8-4-5-11-9(2)7-10(3)13-12(11)6-8;1-10-6-5-9-12(10)11-7-3-2-4-8-11;1-9-7-8-11-12(9)10-5-3-2-4-6-10;2*1-5-3-2-4-6-5/h2-9H,1H3;4-8H,1-3H3;3*4-7H,1-3H3;2-9H,1H3;2-8H,1H3;2*2-4H,1H3
• InChIKey: FJDMSNJTMMZSBN-UHFFFAOYSA-N
• XLogP: 24.59
• TPSA: 105.27 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 3
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1388.93
LogP ≤ 5	24.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline?

The IUPAC name of 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline (CID 158048030) is 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline.

What is the SMILES notation for 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline?

The canonical SMILES for 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline is Cc1c2ccccc2nc2ccccc12.Cc1ccc2c(C)cc(C)nc2c1.Cc1ccc2c(C)nc(C)cc2c1.Cc1ccc2cc(C)nc(C)c2c1.Cc1cccn1-c1ccccc1.Cc1ccco1.Cc1cccs1.Cc1ccnn1-c1ccccc1.Cc1nc(C)n(-c2ccccc2)c1C.

What is the InChIKey of 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline?

The InChIKey is FJDMSNJTMMZSBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N.C12H14N2.3C12H13N.C11H11N.C10H10N2.C5H6O.C5H6S/c1-10-11-6-2-4-8-13(11)15-14-9-5-3-7-12(10)14;1-9-10(2)14(11(3)13-9)12-7-5-4-6-8-12;1-8-4-5-12-10(3)13-9(2)7-11(12)6-8;1-8-4-5-11-7-9(2)13-10(3)12(11)6-8;1-8-4-5-11-9(2)7-10(3)13-12(11)6-8;1-10-6-5-9-12(10)11-7-3-2-4-8-11;1-9-7-8-11-12(9)10-5-3-2-4-6-10;2*1-5-3-2-4-6-5/h2-9H,1H3;4-8H,1-3H3;3*4-7H,1-3H3;2-9H,1H3;2-8H,1H3;2*2-4H,1H3.

What are the key properties of 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline?

9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline has a molecular weight of 1388.93 g/mol, XLogP of 24.59, 3 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 9-methylacridine;2-methylfuran;5-methyl-1-phenylpyrazole;2-methyl-1-phenylpyrrole;2-methylthiophene;1,3,6-trimethylisoquinoline;1,3,7-trimethylisoquinoline;2,4,5-trimethyl-1-phenylimidazole;2,4,7-trimethylquinoline is sourced from PubChem (CID 158048030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).