anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene

C154H168F6O5S2 — CID 160633906

About anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene

anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene (PubChem CID 160633906) has the molecular formula C154H168F6O5S2 and a molecular weight of 2277.15 g/mol. Its IUPAC name is anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene.

Molecular Properties

• Compound Name: anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene
• PubChem CID: 160633906
• Molecular Formula: C154H168F6O5S2
• Molecular Weight: 2277.15 g/mol
• Exact Mass: 2275.22
• IUPAC Name: anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene
• SMILES: CC.CC.CC.CC.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1
• InChI: InChI=1S/C17H14F6.C17H20.C14H14O2S.C14H14O.C14H14S.C14H10.C14H14.C10H8.2C9H10O.C8H10.C6H6.4C2H6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-3-5-9(6-4-7)8(2)10;1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;4*1-2/h3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;2*3-10H,1-2H3;1-10H;3-10H,1-2H3;1-8H;2*3-6H,1-2H3;3-6H,1-2H3;1-6H;4*1-2H3
• InChIKey: RIGYJZLHPMDPLG-UHFFFAOYSA-N
• XLogP: 45.32
• TPSA: 77.51 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 13
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2277.15
LogP ≤ 5	45.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene?

The IUPAC name of anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene (CID 160633906) is anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene.

What is the SMILES notation for anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene?

The canonical SMILES for anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene is CC.CC.CC.CC.CC(=O)c1ccc(C)cc1.CC(=O)c1ccc(C)cc1.Cc1ccc(-c2ccc(C)cc2)cc1.Cc1ccc(C(C)(C)c2ccc(C)cc2)cc1.Cc1ccc(C(c2ccc(C)cc2)(C(F)(F)F)C(F)(F)F)cc1.Cc1ccc(C)cc1.Cc1ccc(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.c1ccc2cc3ccccc3cc2c1.c1ccc2ccccc2c1.c1ccccc1.

What is the InChIKey of anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene?

The InChIKey is RIGYJZLHPMDPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F6.C17H20.C14H14O2S.C14H14O.C14H14S.C14H10.C14H14.C10H8.2C9H10O.C8H10.C6H6.4C2H6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14;1-13-5-9-15(10-6-13)17(3,4)16-11-7-14(2)8-12-16;1-11-3-7-13(8-4-11)17(15,16)14-9-5-12(2)6-10-14;2*1-11-3-7-13(8-4-11)15-14-9-5-12(2)6-10-14;1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1;1-11-3-7-13(8-4-11)14-9-5-12(2)6-10-14;1-2-6-10-8-4-3-7-9(10)5-1;2*1-7-3-5-9(6-4-7)8(2)10;1-7-3-5-8(2)6-4-7;1-2-4-6-5-3-1;4*1-2/h3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;2*3-10H,1-2H3;1-10H;3-10H,1-2H3;1-8H;2*3-6H,1-2H3;3-6H,1-2H3;1-6H;4*1-2H3.

What are the key properties of anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene?

anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene has a molecular weight of 2277.15 g/mol, XLogP of 45.32, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for anthracene;benzene;ethane;1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene;1-methyl-4-(4-methylphenoxy)benzene;1-methyl-4-(4-methylphenyl)benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;bis(1-(4-methylphenyl)ethanone);naphthalene;1,4-xylene is sourced from PubChem (CID 160633906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).