benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole

C90H99N8O5+ — CID 158017194

About benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole

benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole (PubChem CID 158017194) has the molecular formula C90H99N8O5+ and a molecular weight of 1372.83 g/mol. Its IUPAC name is benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole.

Molecular Properties

• Compound Name: benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole
• PubChem CID: 158017194
• Molecular Formula: C90H99N8O5+
• Molecular Weight: 1372.83 g/mol
• Exact Mass: 1371.77
• IUPAC Name: benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole
• SMILES: CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.Cc1nc2cc(-c3ccc4oc(C)nc4c3)ccc2o1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1.c1ccccc1
• InChI: InChI=1S/C26H22N4.C21H16N2.C16H12N2O2.2C6H6.3C3H6O.3C2H6/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;2*1-2-4-6-5-3-1;3*1-3(2)4;3*1-2/h3-16H,1-2H3,(H,27,29)(H,28,30);1-15H,(H,22,23);3-8H,1-2H3;2*1-6H;3*1-2H3;3*1-2H3/p+1
• InChIKey: JJYMVCWSSNYJSW-UHFFFAOYSA-O
• XLogP: 23.74
• TPSA: 190.56 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1372.83
LogP ≤ 5	23.74
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole?

The IUPAC name of benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole (CID 158017194) is benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole.

What is the SMILES notation for benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole?

The canonical SMILES for benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole is CC.CC.CC.CC(C)=O.CC(C)=O.CC(C)=O.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.Cc1nc2cc(-c3ccc4oc(C)nc4c3)ccc2o1.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccccc1.c1ccccc1.

What is the InChIKey of benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole?

The InChIKey is JJYMVCWSSNYJSW-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N4.C21H16N2.C16H12N2O2.2C6H6.3C3H6O.3C2H6/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;2*1-2-4-6-5-3-1;3*1-3(2)4;3*1-2/h3-16H,1-2H3,(H,27,29)(H,28,30);1-15H,(H,22,23);3-8H,1-2H3;2*1-6H;3*1-2H3;3*1-2H3/p+1.

What are the key properties of benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole?

benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole has a molecular weight of 1372.83 g/mol, XLogP of 23.74, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for benzene;ethane;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;tris(propan-2-one);2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 158017194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).