1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane

C198H168N13O4S5Si+3 — CID 157247174

IUPAC1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane
SMILESCC(c1ccccc1)(c1ccccc1)c1ccccc1.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2S(=O)(=O)c2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1[nH]c2ccccc2[n+]1-c1ccc(-c2ccccc2)cc1.Cc1[nH]c2ccccc2[n+]1-c1ccccc1.Cc1ccc(-c2[nH]c3ccccc3[n+]2-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)s2)cc1.Cc1cccc(-c2ccc(-c3ccccc3)s2)c1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C29H24N2Si.C26H20N2.C20H16N2.C20H18.2C17H14S.C14H12N2.C13H11NO2S.C13H11NO.C13H11NS.C8H7NO.C8H7NS/c1-23-30-22-21-29(31-23)24-17-19-28(20-18-24)32(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-19-11-13-22(14-12-19)26-27-24-9-5-6-10-25(24)28(26)23-17-15-21(16-18-23)20-7-3-2-4-8-20;1-15-21-19-9-5-6-10-20(19)22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-13-6-5-9-15(12-13)17-11-10-16(18-17)14-7-3-2-4-8-14;1-13-7-9-15(10-8-13)17-12-11-16(18-17)14-5-3-2-4-6-14;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-14-10-6-2-4-8-12(10)17(15,16)13-9-5-3-7-11(13)14;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;2*1-6-9-7-4-2-3-5-8(7)10-6/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-16H,1H3;2*2-12H,1H3;2-10H,1H3;2-9H,1H3;2*2-9H,1H3;2*2-5H,1H3/p+3
InChIKeyCCZBTPVGZHWTNA-UHFFFAOYSA-Q
MW2982.03 g/mol
LogP47.73
Rot. Bonds18

About 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane

1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane (PubChem CID 157247174) has the molecular formula C198H168N13O4S5Si+3 and a molecular weight of 2982.03 g/mol. Its IUPAC name is 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane.

Molecular Properties

Compound Name1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane
PubChem CID157247174
Molecular FormulaC198H168N13O4S5Si+3
Molecular Weight2982.03 g/mol
Exact Mass2979.17
IUPAC Name1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane
SMILESCC(c1ccccc1)(c1ccccc1)c1ccccc1.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2S(=O)(=O)c2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1[nH]c2ccccc2[n+]1-c1ccc(-c2ccccc2)cc1.Cc1[nH]c2ccccc2[n+]1-c1ccccc1.Cc1ccc(-c2[nH]c3ccccc3[n+]2-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)s2)cc1.Cc1cccc(-c2ccc(-c3ccccc3)s2)c1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)n1
InChIInChI=1S/C29H24N2Si.C26H20N2.C20H16N2.C20H18.2C17H14S.C14H12N2.C13H11NO2S.C13H11NO.C13H11NS.C8H7NO.C8H7NS/c1-23-30-22-21-29(31-23)24-17-19-28(20-18-24)32(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-19-11-13-22(14-12-19)26-27-24-9-5-6-10-25(24)28(26)23-17-15-21(16-18-23)20-7-3-2-4-8-20;1-15-21-19-9-5-6-10-20(19)22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-13-6-5-9-15(12-13)17-11-10-16(18-17)14-7-3-2-4-8-14;1-13-7-9-15(10-8-13)17-12-11-16(18-17)14-5-3-2-4-6-14;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-14-10-6-2-4-8-12(10)17(15,16)13-9-5-3-7-11(13)14;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;2*1-6-9-7-4-2-3-5-8(7)10-6/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-16H,1H3;2*2-12H,1H3;2-10H,1H3;2-9H,1H3;2*2-9H,1H3;2*2-5H,1H3/p+3
InChIKeyCCZBTPVGZHWTNA-UHFFFAOYSA-Q
XLogP47.73
TPSA176.80 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms221
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002982.03
LogP ≤ 547.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane?
The IUPAC name of 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane (CID 157247174) is 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane.
What is the SMILES notation for 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane?
The canonical SMILES for 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane is CC(c1ccccc1)(c1ccccc1)c1ccccc1.CN1c2ccccc2Oc2ccccc21.CN1c2ccccc2S(=O)(=O)c2ccccc21.CN1c2ccccc2Sc2ccccc21.Cc1[nH]c2ccccc2[n+]1-c1ccc(-c2ccccc2)cc1.Cc1[nH]c2ccccc2[n+]1-c1ccccc1.Cc1ccc(-c2[nH]c3ccccc3[n+]2-c2ccc(-c3ccccc3)cc2)cc1.Cc1ccc(-c2ccc(-c3ccccc3)s2)cc1.Cc1cccc(-c2ccc(-c3ccccc3)s2)c1.Cc1nc2ccccc2o1.Cc1nc2ccccc2s1.Cc1nccc(-c2ccc([Si](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)n1.
What is the InChIKey of 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane?
The InChIKey is CCZBTPVGZHWTNA-UHFFFAOYSA-Q. The full InChI is InChI=1S/C29H24N2Si.C26H20N2.C20H16N2.C20H18.2C17H14S.C14H12N2.C13H11NO2S.C13H11NO.C13H11NS.C8H7NO.C8H7NS/c1-23-30-22-21-29(31-23)24-17-19-28(20-18-24)32(25-11-5-2-6-12-25,26-13-7-3-8-14-26)27-15-9-4-10-16-27;1-19-11-13-22(14-12-19)26-27-24-9-5-6-10-25(24)28(26)23-17-15-21(16-18-23)20-7-3-2-4-8-20;1-15-21-19-9-5-6-10-20(19)22(15)18-13-11-17(12-14-18)16-7-3-2-4-8-16;1-20(17-11-5-2-6-12-17,18-13-7-3-8-14-18)19-15-9-4-10-16-19;1-13-6-5-9-15(12-13)17-11-10-16(18-17)14-7-3-2-4-8-14;1-13-7-9-15(10-8-13)17-12-11-16(18-17)14-5-3-2-4-6-14;1-11-15-13-9-5-6-10-14(13)16(11)12-7-3-2-4-8-12;1-14-10-6-2-4-8-12(10)17(15,16)13-9-5-3-7-11(13)14;2*1-14-10-6-2-4-8-12(10)15-13-9-5-3-7-11(13)14;2*1-6-9-7-4-2-3-5-8(7)10-6/h2-22H,1H3;2-18H,1H3;2-14H,1H3;2-16H,1H3;2*2-12H,1H3;2-10H,1H3;2-9H,1H3;2*2-9H,1H3;2*2-5H,1H3/p+3.
What are the key properties of 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane?
1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane has a molecular weight of 2982.03 g/mol, XLogP of 47.73, 18 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenylethylbenzene;2-methyl-1,3-benzothiazole;2-methyl-1,3-benzoxazole;10-methylphenothiazine;10-methylphenothiazine 5,5-dioxide;10-methylphenoxazine;2-methyl-3-phenyl-1H-benzimidazol-3-ium;2-methyl-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(4-methylphenyl)-3-(4-phenylphenyl)-1H-benzimidazol-3-ium;2-(3-methylphenyl)-5-phenylthiophene;2-(4-methylphenyl)-5-phenylthiophene;[4-(2-methylpyrimidin-4-yl)phenyl]-triphenylsilane is sourced from PubChem (CID 157247174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).