1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole

C282H237F2N9 — CID 160959441

About 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole

1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole (PubChem CID 160959441) has the molecular formula C282H237F2N9 and a molecular weight of 3790.06 g/mol. Its IUPAC name is 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole.

Molecular Properties

• Compound Name: 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole
• PubChem CID: 160959441
• Molecular Formula: C282H237F2N9
• Molecular Weight: 3790.06 g/mol
• Exact Mass: 3786.88
• IUPAC Name: 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole
• SMILES: Cc1cc(C#N)cc(C#N)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc(-c2cc(C#N)cc(C#N)c2)cc1.Cc1ccc(-c2ccc(C#N)cc2)cc1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2cccc(C#N)c2)cc1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(C#N)cc1.Cc1ccc(F)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2ccc3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(C#N)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1
• InChI: InChI=1S/C28H23N.C19H16.2C17H14.C15H10N2.3C15H12.2C14H11N.C13H11F.3C13H12.2C11H10.C9H6N2.2C8H7N.C7H7F.C7H8/c1-18-12-14-20-21-15-13-19(17-25(21)28(2,3)24(20)16-18)29-26-10-6-4-8-22(26)23-9-5-7-11-27(23)29;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-11-2-4-14(5-3-11)15-7-12(9-16)6-13(8-15)10-17;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11;1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;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;1-7-2-8(5-10)4-9(3-7)6-11;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7/h4-17H,1-3H3;2-14H,1H3;2*2-12H,1H3;2-8H,1H3;3*2-10H,1H3;2*2-9H,1H3;2-9H,1H3;3*2-10H,1H3;2*2-8H,1H3;2-4H,1H3;2*2-5H,1H3;2-5H,1H3;2-6H,1H3
• InChIKey: SWUZYXXBEHHCDO-UHFFFAOYSA-N
• XLogP: 76.42
• TPSA: 195.25 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 293
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	3790.06
LogP ≤ 5	76.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

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-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole?

The IUPAC name of 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole (CID 160959441) is 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole.

What is the SMILES notation for 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole?

The canonical SMILES for 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole is Cc1cc(C#N)cc(C#N)c1.Cc1cc2ccccc2c2ccccc12.Cc1ccc(-c2cc(C#N)cc(C#N)c2)cc1.Cc1ccc(-c2ccc(C#N)cc2)cc1.Cc1ccc(-c2ccc(F)cc2)cc1.Cc1ccc(-c2ccc3ccccc3c2)cc1.Cc1ccc(-c2cccc(-c3ccccc3)c2)cc1.Cc1ccc(-c2cccc(C#N)c2)cc1.Cc1ccc(-c2cccc3ccccc23)cc1.Cc1ccc(-c2ccccc2)cc1.Cc1ccc(C#N)cc1.Cc1ccc(F)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(-n3c4ccccc4c4ccccc43)ccc1-2.Cc1ccc2c(ccc3ccccc32)c1.Cc1ccc2ccc3ccccc3c2c1.Cc1ccc2ccccc2c1.Cc1cccc(-c2ccccc2)c1.Cc1cccc(C#N)c1.Cc1cccc2ccccc12.Cc1ccccc1.Cc1ccccc1-c1ccccc1.

What is the InChIKey of 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole?

The InChIKey is SWUZYXXBEHHCDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N.C19H16.2C17H14.C15H10N2.3C15H12.2C14H11N.C13H11F.3C13H12.2C11H10.C9H6N2.2C8H7N.C7H7F.C7H8/c1-18-12-14-20-21-15-13-19(17-25(21)28(2,3)24(20)16-18)29-26-10-6-4-8-22(26)23-9-5-7-11-27(23)29;1-15-10-12-17(13-11-15)19-9-5-8-18(14-19)16-6-3-2-4-7-16;1-13-9-11-15(12-10-13)17-8-4-6-14-5-2-3-7-16(14)17;1-13-6-8-15(9-7-13)17-11-10-14-4-2-3-5-16(14)12-17;1-11-2-4-14(5-3-11)15-7-12(9-16)6-13(8-15)10-17;1-11-10-12-6-2-3-8-14(12)15-9-5-4-7-13(11)15;1-11-6-9-15-13(10-11)8-7-12-4-2-3-5-14(12)15;1-11-6-7-13-9-8-12-4-2-3-5-14(12)15(13)10-11;1-11-2-6-13(7-3-11)14-8-4-12(10-15)5-9-14;1-11-5-7-13(8-6-11)14-4-2-3-12(9-14)10-15;1-10-2-4-11(5-3-10)12-6-8-13(14)9-7-12;1-11-7-5-6-10-13(11)12-8-3-2-4-9-12;1-11-6-5-9-13(10-11)12-7-3-2-4-8-12;1-11-7-9-13(10-8-11)12-5-3-2-4-6-12;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;1-7-2-8(5-10)4-9(3-7)6-11;1-7-2-4-8(6-9)5-3-7;1-7-3-2-4-8(5-7)6-9;1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7/h4-17H,1-3H3;2-14H,1H3;2*2-12H,1H3;2-8H,1H3;3*2-10H,1H3;2*2-9H,1H3;2-9H,1H3;3*2-10H,1H3;2*2-8H,1H3;2-4H,1H3;2*2-5H,1H3;2-5H,1H3;2-6H,1H3.

What are the key properties of 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole?

1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole has a molecular weight of 3790.06 g/mol, XLogP of 76.42, 12 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-fluoro-4-methylbenzene;1-fluoro-4-(4-methylphenyl)benzene;5-methylbenzene-1,3-dicarbonitrile;3-methylbenzonitrile;4-methylbenzonitrile;1-methylnaphthalene;2-methylnaphthalene;2-methylphenanthrene;3-methylphenanthrene;9-methylphenanthrene;1-methyl-2-phenylbenzene;1-methyl-3-phenylbenzene;1-methyl-4-phenylbenzene;5-(4-methylphenyl)benzene-1,3-dicarbonitrile;3-(4-methylphenyl)benzonitrile;4-(4-methylphenyl)benzonitrile;1-(4-methylphenyl)naphthalene;2-(4-methylphenyl)naphthalene;1-methyl-4-(3-phenylphenyl)benzene;toluene;9-(7,9,9-trimethylfluoren-2-yl)carbazole is sourced from PubChem (CID 160959441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).