benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene

C313H424F6O16S3 — CID 158038183

About benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene

benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene (PubChem CID 158038183) has the molecular formula C313H424F6O16S3 and a molecular weight of 4653.01 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene.

Molecular Properties

• Compound Name: benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene
• PubChem CID: 158038183
• Molecular Formula: C313H424F6O16S3
• Molecular Weight: 4653.01 g/mol
• Exact Mass: 4649.14
• IUPAC Name: benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene
• SMILES: CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC1CCC(C)CC1.CCC.CCC1(C)CC(C)CC(C)(C)C1.COC.COC.COC.CS(C)(=O)=O.CSC.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C2(C)CC(C)(C)c3cc(C)ccc32)cc1.Cc1ccc(OCC(C)(C)COc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C29H22F6O2.C29H28O2.C26H22O4S.C26H30.C20H24.C19H24O2.C12H10.C12H24.C8H16.14C6H6.C3H6O.C3H8.C2H6O2S.3C2H6O.C2H6S.16C2H6/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-19-7-11-21(12-8-19)25(3,4)23-15-17-24(18-16-23)26(5,6)22-13-9-20(2)10-14-22;1-14-6-9-16(10-7-14)20(5)13-19(3,4)18-12-15(2)8-11-17(18)20;1-15-5-9-17(10-6-15)20-13-19(3,4)14-21-18-11-7-16(2)8-12-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-12(5)8-10(2)7-11(3,4)9-12;1-7-3-5-8(2)6-4-7;14*1-2-4-6-5-3-1;1-3(2)4;1-3-2;1-5(2,3)4;4*1-3-2;16*1-2/h3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;7-18H,1-6H3;6-12H,13H2,1-5H3;5-12H,13-14H2,1-4H3;1-10H;10H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3;14*1-6H;1-2H3;3H2,1-2H3;1-2H3;4*1-2H3;16*1-2H3
• InChIKey: FIAISCKMAPSUOT-UHFFFAOYSA-N
• XLogP: 95.17
• TPSA: 186.88 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 31
• Heavy Atoms: 338
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4653.01
LogP ≤ 5	95.17
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

The IUPAC name of benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene (CID 158038183) is benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene.

What is the SMILES notation for benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

The canonical SMILES for benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)=O.CC1CCC(C)CC1.CCC.CCC1(C)CC(C)CC(C)(C)C1.COC.COC.COC.CS(C)(=O)=O.CSC.Cc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(C)cc3)cc2)cc1.Cc1ccc(C2(C)CC(C)(C)c3cc(C)ccc32)cc1.Cc1ccc(OCC(C)(C)COc2ccc(C)cc2)cc1.Cc1ccc(Oc2ccc(C(C)(C)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.Cc1ccc(Oc2ccc(C(c3ccc(Oc4ccc(C)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1.Cc1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccc(C)cc4)cc3)cc2)cc1.c1ccc(-c2ccccc2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

The InChIKey is FIAISCKMAPSUOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H22F6O2.C29H28O2.C26H22O4S.C26H30.C20H24.C19H24O2.C12H10.C12H24.C8H16.14C6H6.C3H6O.C3H8.C2H6O2S.3C2H6O.C2H6S.16C2H6/c1-19-3-11-23(12-4-19)36-25-15-7-21(8-16-25)27(28(30,31)32,29(33,34)35)22-9-17-26(18-10-22)37-24-13-5-20(2)6-14-24;1-21-5-13-25(14-6-21)30-27-17-9-23(10-18-27)29(3,4)24-11-19-28(20-12-24)31-26-15-7-22(2)8-16-26;1-19-3-7-21(8-4-19)29-23-11-15-25(16-12-23)31(27,28)26-17-13-24(14-18-26)30-22-9-5-20(2)6-10-22;1-19-7-11-21(12-8-19)25(3,4)23-15-17-24(18-16-23)26(5,6)22-13-9-20(2)10-14-22;1-14-6-9-16(10-7-14)20(5)13-19(3,4)18-12-15(2)8-11-17(18)20;1-15-5-9-17(10-6-15)20-13-19(3,4)14-21-18-11-7-16(2)8-12-18;1-3-7-11(8-4-1)12-9-5-2-6-10-12;1-6-12(5)8-10(2)7-11(3,4)9-12;1-7-3-5-8(2)6-4-7;14*1-2-4-6-5-3-1;1-3(2)4;1-3-2;1-5(2,3)4;4*1-3-2;16*1-2/h3-18H,1-2H3;5-20H,1-4H3;3-18H,1-2H3;7-18H,1-6H3;6-12H,13H2,1-5H3;5-12H,13-14H2,1-4H3;1-10H;10H,6-9H2,1-5H3;7-8H,3-6H2,1-2H3;14*1-6H;1-2H3;3H2,1-2H3;1-2H3;4*1-2H3;16*1-2H3.

What are the key properties of benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene?

benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene has a molecular weight of 4653.01 g/mol, XLogP of 95.17, 31 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1,1'-biphenyl;1,4-bis[2-(4-methylphenyl)propan-2-yl]benzene;1,4-dimethylcyclohexane;1-[2,2-dimethyl-3-(4-methylphenoxy)propoxy]-4-methylbenzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane;1-[1,1,1,3,3,3-hexafluoro-2-[4-(4-methylphenoxy)phenyl]propan-2-yl]-4-(4-methylphenoxy)benzene;methoxymethane;1-methyl-4-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenoxy]benzene;1-methyl-4-[4-[4-(4-methylphenoxy)phenyl]sulfonylphenoxy]benzene;methylsulfanylmethane;methylsulfonylmethane;propane;propan-2-one;1,3,3,5-tetramethyl-1-(4-methylphenyl)-2H-indene is sourced from PubChem (CID 158038183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).