benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole

C260H375F6N8O13S3+ — CID 160629574

About benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole

benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole (PubChem CID 160629574) has the molecular formula C260H375F6N8O13S3+ and a molecular weight of 4031.09 g/mol. Its IUPAC name is benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole.

Molecular Properties

• Compound Name: benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
• PubChem CID: 160629574
• Molecular Formula: C260H375F6N8O13S3+
• Molecular Weight: 4031.09 g/mol
• Exact Mass: 4027.80
• IUPAC Name: benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
• SMILES: C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC(C)(c1ccccc1)c1ccccc1.COC.COC.CS(C)(=O)=O.CS(C)(=O)=O.CSC.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.Cc1nc2cc(-c3ccc4oc(C)nc4c3)ccc2o1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C26H22N4.C21H16N2.C16H12N2O2.C16H18.C15H10F6.C15H16.C12H10.11C6H6.5C3H6O.C3H8.2C2H6O2S.2C2H6O.C2H6S.22C2H6.CH4/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-9-17-13-7-11(3-5-15(13)19-9)12-4-6-16-14(8-12)18-10(2)20-16;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;11*1-2-4-6-5-3-1;5*1-3(2)4;1-3-2;2*1-5(2,3)4;3*1-3-2;22*1-2;/h3-16H,1-2H3,(H,27,29)(H,28,30);1-15H,(H,22,23);3-8H,1-2H3;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H;11*1-6H;5*1-2H3;3H2,1-2H3;2*1-2H3;3*1-2H3;22*1-2H3;1H4/p+1
• InChIKey: AKIRFKSDCYUUKO-UHFFFAOYSA-O
• XLogP: 79.35
• TPSA: 311.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 18
• Rotatable Bonds: 16
• Heavy Atoms: 290
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	4031.09
LogP ≤ 5	79.35
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?

The IUPAC name of benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole (CID 160629574) is benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole.

What is the SMILES notation for benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?

The canonical SMILES for benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole is C.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(c1ccccc1)c1ccccc1.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CC(C)=O.CCC.CCC(C)(c1ccccc1)c1ccccc1.COC.COC.CS(C)(=O)=O.CS(C)(=O)=O.CSC.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.Cc1nc2cc(-c3ccc4oc(C)nc4c3)ccc2o1.FC(F)(F)C(c1ccccc1)(c1ccccc1)C(F)(F)F.c1ccc(-c2ccccc2)cc1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?

The InChIKey is AKIRFKSDCYUUKO-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N4.C21H16N2.C16H12N2O2.C16H18.C15H10F6.C15H16.C12H10.11C6H6.5C3H6O.C3H8.2C2H6O2S.2C2H6O.C2H6S.22C2H6.CH4/c1-17-23(19-9-5-3-6-10-19)29-25(27-17)21-13-15-22(16-14-21)26-28-18(2)24(30-26)20-11-7-4-8-12-20;1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-9-17-13-7-11(3-5-15(13)19-9)12-4-6-16-14(8-12)18-10(2)20-16;1-3-16(2,14-10-6-4-7-11-14)15-12-8-5-9-13-15;16-14(17,18)13(15(19,20)21,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-15(2,13-9-5-3-6-10-13)14-11-7-4-8-12-14;1-3-7-11(8-4-1)12-9-5-2-6-10-12;11*1-2-4-6-5-3-1;5*1-3(2)4;1-3-2;2*1-5(2,3)4;3*1-3-2;22*1-2;/h3-16H,1-2H3,(H,27,29)(H,28,30);1-15H,(H,22,23);3-8H,1-2H3;4-13H,3H2,1-2H3;1-10H;3-12H,1-2H3;1-10H;11*1-6H;5*1-2H3;3H2,1-2H3;2*1-2H3;3*1-2H3;22*1-2H3;1H4/p+1.

What are the key properties of benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?

benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole has a molecular weight of 4031.09 g/mol, XLogP of 79.35, 16 rotatable bonds, 3 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;1,1'-biphenyl;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methoxymethane;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;methylsulfanylmethane;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;pentakis(propan-2-one);2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 160629574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).