1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene

C127H109F — CID 160790755

About 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene

1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene (PubChem CID 160790755) has the molecular formula C127H109F and a molecular weight of 1654.27 g/mol. Its IUPAC name is 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene.

Molecular Properties

• Compound Name: 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene
• PubChem CID: 160790755
• Molecular Formula: C127H109F
• Molecular Weight: 1654.27 g/mol
• Exact Mass: 1652.85
• IUPAC Name: 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene
• SMILES: Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1c(-c2ccccc2)cccc1-c1ccccc1.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc(C)cc(F)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12
• InChI: InChI=1S/C25H20.3C19H16.C15H12.2C11H10.C8H9F/c1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-3-7(2)5-8(9)4-6/h2-18H,1H3;3*2-14H,1H3;2-10H,1H3;2*2-8H,1H3;3-5H,1-2H3
• InChIKey: SBUIUHNIGVZFEY-UHFFFAOYSA-N
• XLogP: 36.02
• TPSA: 0.00 Ų
• Rotatable Bonds: 9
• Heavy Atoms: 128
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1654.27
LogP ≤ 5	36.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene?

The IUPAC name of 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene (CID 160790755) is 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene.

What is the SMILES notation for 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene?

The canonical SMILES for 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene is Cc1c(-c2ccccc2)cc(-c2ccccc2)cc1-c1ccccc1.Cc1c(-c2ccccc2)cccc1-c1ccccc1.Cc1cc(-c2ccccc2)cc(-c2ccccc2)c1.Cc1cc(C)cc(F)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc(-c2ccccc2)cc1-c1ccccc1.Cc1ccc2ccccc2c1.Cc1cccc2ccccc12.

What is the InChIKey of 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene?

The InChIKey is SBUIUHNIGVZFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20.3C19H16.C15H12.2C11H10.C8H9F/c1-19-24(21-13-7-3-8-14-21)17-23(20-11-5-2-6-12-20)18-25(19)22-15-9-4-10-16-22;1-15-18(16-9-4-2-5-10-16)13-8-14-19(15)17-11-6-3-7-12-17;1-15-12-18(16-8-4-2-5-9-16)14-19(13-15)17-10-6-3-7-11-17;1-15-12-13-18(16-8-4-2-5-9-16)14-19(15)17-10-6-3-7-11-17;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-9-5-4-7-10-6-2-3-8-11(9)10;1-9-6-7-10-4-2-3-5-11(10)8-9;1-6-3-7(2)5-8(9)4-6/h2-18H,1H3;3*2-14H,1H3;2-10H,1H3;2*2-8H,1H3;3-5H,1-2H3.

What are the key properties of 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene?

1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene has a molecular weight of 1654.27 g/mol, XLogP of 36.02, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-3,5-dimethylbenzene;1-methyl-2,4-diphenylbenzene;1-methyl-3,5-diphenylbenzene;2-methyl-1,3-diphenylbenzene;1-methylnaphthalene;2-methylnaphthalene;9-methylphenanthrene;2-methyl-1,3,5-triphenylbenzene is sourced from PubChem (CID 160790755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).