benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole

C160H211F6N8O9S+ — CID 162141754

IUPACbenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
SMILESCC.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.CCC.CCC(C)(c1ccccc1)c1ccccc1.COC.CS(C)(=O)=O.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(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C26H22N4.C21H16N2.C16H12N2O2.C16H18.C15H10F6.C15H16.2C6H6.4C3H6O.C3H8.C2H6O2S.C2H6O.10C2H6/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;2*1-2-4-6-5-3-1;4*1-3(2)4;1-3-2;1-5(2,3)4;1-3-2;10*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;2*1-6H;4*1-2H3;3H2,1-2H3;1-2H3;1-2H3;10*1-2H3/p+1
InChIKeyLCZPFDLMIMIFFI-UHFFFAOYSA-O
MW2536.55 g/mol
LogP46.37
Rot. Bonds15

About benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole

benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole (PubChem CID 162141754) has the molecular formula C160H211F6N8O9S+ and a molecular weight of 2536.55 g/mol. Its IUPAC name is benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole.

Molecular Properties

Compound Namebenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
PubChem CID162141754
Molecular FormulaC160H211F6N8O9S+
Molecular Weight2536.55 g/mol
Exact Mass2534.59
IUPAC Namebenzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole
SMILESCC.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.CCC.CCC(C)(c1ccccc1)c1ccccc1.COC.CS(C)(=O)=O.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(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C26H22N4.C21H16N2.C16H12N2O2.C16H18.C15H10F6.C15H16.2C6H6.4C3H6O.C3H8.C2H6O2S.C2H6O.10C2H6/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;2*1-2-4-6-5-3-1;4*1-3(2)4;1-3-2;1-5(2,3)4;1-3-2;10*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;2*1-6H;4*1-2H3;3H2,1-2H3;1-2H3;1-2H3;10*1-2H3/p+1
InChIKeyLCZPFDLMIMIFFI-UHFFFAOYSA-O
XLogP46.37
TPSA251.00 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds15
Heavy Atoms184
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002536.55
LogP ≤ 546.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Computed Properties (RDKit)

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

Analyze benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?
The IUPAC name of benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole (CID 162141754) is benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole.
What is the SMILES notation for benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?
The canonical SMILES for benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole is 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.CCC.CCC(C)(c1ccccc1)c1ccccc1.COC.CS(C)(=O)=O.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(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?
The InChIKey is LCZPFDLMIMIFFI-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N4.C21H16N2.C16H12N2O2.C16H18.C15H10F6.C15H16.2C6H6.4C3H6O.C3H8.C2H6O2S.C2H6O.10C2H6/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;2*1-2-4-6-5-3-1;4*1-3(2)4;1-3-2;1-5(2,3)4;1-3-2;10*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;2*1-6H;4*1-2H3;3H2,1-2H3;1-2H3;1-2H3;10*1-2H3/p+1.
What are the key properties of benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole?
benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole has a molecular weight of 2536.55 g/mol, XLogP of 46.37, 15 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;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;methylsulfonylmethane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;propane;tetrakis(propan-2-one);2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 162141754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).