1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene

C196H208F6O12S2 — CID 158762938

About 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene

1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene (PubChem CID 158762938) has the molecular formula C196H208F6O12S2 and a molecular weight of 2933.93 g/mol. Its IUPAC name is 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene.

Molecular Properties

• Compound Name: 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene
• PubChem CID: 158762938
• Molecular Formula: C196H208F6O12S2
• Molecular Weight: 2933.93 g/mol
• Exact Mass: 2931.50
• IUPAC Name: 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene
• SMILES: CC.CC.CC.CC.Cc1ccc(C(=O)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(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.Cc1cccc(OCOCCOC(=O)c2cccc(C)c2)c1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.Cc1cccc(Oc2ccc(Oc3cccc(C)c3)cc2)c1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1
• InChI: InChI=1S/C29H28O2.C20H18O2.C18H20O4.C17H14F6.C17H20.C15H14O.C14H14O2S.C14H14O.C14H14S.C12H10.C10H8.C8H10.4C2H6/c1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-20-8-4-6-16(2)14-20;1-14-5-3-7-16(11-14)18(19)21-10-9-20-13-22-17-8-4-6-15(2)12-17;1-11-3-7-13(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)15(16)14-9-5-12(2)6-10-14;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-3-5-8(2)6-7;4*1-2/h5-20H,1-4H3;3-14H,1-2H3;3-8,11-12H,9-10,13H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-10H;1-8H;3-6H,1-2H3;4*1-2H3
• InChIKey: IOWYVGLNSXMHFT-UHFFFAOYSA-N
• XLogP: 55.78
• TPSA: 142.12 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 30
• Heavy Atoms: 216
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2933.93
LogP ≤ 5	55.78
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene?

The IUPAC name of 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene (CID 158762938) is 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene.

What is the SMILES notation for 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene?

The canonical SMILES for 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene is CC.CC.CC.CC.Cc1ccc(C(=O)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(Oc2ccc(C)cc2)cc1.Cc1ccc(S(=O)(=O)c2ccc(C)cc2)cc1.Cc1ccc(Sc2ccc(C)cc2)cc1.Cc1cccc(C)c1.Cc1cccc(OCOCCOC(=O)c2cccc(C)c2)c1.Cc1cccc(Oc2ccc(C(C)(C)c3ccc(Oc4cccc(C)c4)cc3)cc2)c1.Cc1cccc(Oc2ccc(Oc3cccc(C)c3)cc2)c1.c1ccc(-c2ccccc2)cc1.c1ccc2ccccc2c1.

What is the InChIKey of 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene?

The InChIKey is IOWYVGLNSXMHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28O2.C20H18O2.C18H20O4.C17H14F6.C17H20.C15H14O.C14H14O2S.C14H14O.C14H14S.C12H10.C10H8.C8H10.4C2H6/c1-21-7-5-9-27(19-21)30-25-15-11-23(12-16-25)29(3,4)24-13-17-26(18-14-24)31-28-10-6-8-22(2)20-28;1-15-5-3-7-19(13-15)21-17-9-11-18(12-10-17)22-20-8-4-6-16(2)14-20;1-14-5-3-7-16(11-14)18(19)21-10-9-20-13-22-17-8-4-6-15(2)12-17;1-11-3-7-13(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)15(16)14-9-5-12(2)6-10-14;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;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-2-6-10-8-4-3-7-9(10)5-1;1-7-4-3-5-8(2)6-7;4*1-2/h5-20H,1-4H3;3-14H,1-2H3;3-8,11-12H,9-10,13H2,1-2H3;3-10H,1-2H3;5-12H,1-4H3;3-10H,1-2H3;3-10H,1-2H3;2*3-10H,1-2H3;1-10H;1-8H;3-6H,1-2H3;4*1-2H3.

What are the key properties of 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene?

1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene has a molecular weight of 2933.93 g/mol, XLogP of 55.78, 30 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1'-biphenyl;1,4-bis(3-methylphenoxy)benzene;bis(4-methylphenyl)methanone;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-3-[4-[2-[4-(3-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[2-(4-methylphenyl)propan-2-yl]benzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfonylbenzene;2-[(3-methylphenoxy)methoxy]ethyl 3-methylbenzoate;naphthalene;1,3-xylene is sourced from PubChem (CID 158762938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).