8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene

C58H51FS — CID 144614284

About 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene

8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene (PubChem CID 144614284) has the molecular formula C58H51FS and a molecular weight of 799.11 g/mol. Its IUPAC name is 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene.

Molecular Properties

• Compound Name: 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene
• PubChem CID: 144614284
• Molecular Formula: C58H51FS
• Molecular Weight: 799.11 g/mol
• Exact Mass: 798.37
• IUPAC Name: 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene
• SMILES: Cc1ccc(C(CCc2cc3c(c4ccccc24)-c2ccc(C(C)C(Cc4ccccc4)c4ccc5c(c4)CSc4ccccc4-5)cc2C3(C)C)c2cccc(F)c2)cc1
• InChI: InChI=1S/C58H51FS/c1-37-21-23-40(24-22-37)47(42-15-12-16-46(59)33-42)28-26-44-35-55-57(51-19-9-8-17-48(44)51)52-30-25-41(34-54(52)58(55,3)4)38(2)53(31-39-13-6-5-7-14-39)43-27-29-49-45(32-43)36-60-56-20-11-10-18-50(49)56/h5-25,27,29-30,32-35,38,47,53H,26,28,31,36H2,1-4H3
• InChIKey: FZIUWMVBKGXIBJ-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 0.00 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 10
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	799.11
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene?

The IUPAC name of 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene (CID 144614284) is 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene.

What is the SMILES notation for 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene?

The canonical SMILES for 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene is Cc1ccc(C(CCc2cc3c(c4ccccc24)-c2ccc(C(C)C(Cc4ccccc4)c4ccc5c(c4)CSc4ccccc4-5)cc2C3(C)C)c2cccc(F)c2)cc1.

What is the InChIKey of 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene?

The InChIKey is FZIUWMVBKGXIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H51FS/c1-37-21-23-40(24-22-37)47(42-15-12-16-46(59)33-42)28-26-44-35-55-57(51-19-9-8-17-48(44)51)52-30-25-41(34-54(52)58(55,3)4)38(2)53(31-39-13-6-5-7-14-39)43-27-29-49-45(32-43)36-60-56-20-11-10-18-50(49)56/h5-25,27,29-30,32-35,38,47,53H,26,28,31,36H2,1-4H3.

What are the key properties of 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene?

8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene has a molecular weight of 799.11 g/mol, XLogP of 15.76, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[3-[5-[3-(3-fluorophenyl)-3-(4-methylphenyl)propyl]-7,7-dimethylbenzo[g]fluoren-9-yl]-1-phenylbutan-2-yl]-6H-benzo[c]thiochromene is sourced from PubChem (CID 144614284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).