benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole

C216H291N6O2+ — CID 159864152

IUPACbenzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(c1ccccc1)c1ccccc1.CC1(C)CC(C)(c2ccccc2)c2ccccc21.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2(c3ccccc3)CCc3ccccc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C26H22N4.C21H16N2.C21H18.C20H14O2.C18H20.C14H14.8C6H6.2C5H12.19C2H6/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;1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)16-15-17-9-7-8-14-20(17)21;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;8*1-2-4-6-5-3-1;2*1-5(2,3)4;19*1-2/h3-16H,1-2H3,(H,27,29)(H,28,30);1-15H,(H,22,23);1-14H,15-16H2;1-14H;4-12H,13H2,1-3H3;2-12H,1H3;8*1-6H;2*1-4H3;19*1-2H3/p+1
InChIKeyDXCCACQQWAOXOK-UHFFFAOYSA-O
MW3003.74 g/mol
LogP65.97
Rot. Bonds14

About benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole

benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole (PubChem CID 159864152) has the molecular formula C216H291N6O2+ and a molecular weight of 3003.74 g/mol. Its IUPAC name is benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole.

Molecular Properties

Compound Namebenzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole
PubChem CID159864152
Molecular FormulaC216H291N6O2+
Molecular Weight3003.74 g/mol
Exact Mass3001.28
IUPAC Namebenzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole
SMILESCC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(c1ccccc1)c1ccccc1.CC1(C)CC(C)(c2ccccc2)c2ccccc21.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2(c3ccccc3)CCc3ccccc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1
InChIInChI=1S/C26H22N4.C21H16N2.C21H18.C20H14O2.C18H20.C14H14.8C6H6.2C5H12.19C2H6/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;1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)16-15-17-9-7-8-14-20(17)21;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;8*1-2-4-6-5-3-1;2*1-5(2,3)4;19*1-2/h3-16H,1-2H3,(H,27,29)(H,28,30);1-15H,(H,22,23);1-14H,15-16H2;1-14H;4-12H,13H2,1-3H3;2-12H,1H3;8*1-6H;2*1-4H3;19*1-2H3/p+1
InChIKeyDXCCACQQWAOXOK-UHFFFAOYSA-O
XLogP65.97
TPSA113.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms224
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5003003.74
LogP ≤ 565.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole?
The IUPAC name of benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole (CID 159864152) is benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole.
What is the SMILES notation for benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole?
The canonical SMILES for benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole is CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC(C)(C)C.CC(C)(C)C.CC(c1ccccc1)c1ccccc1.CC1(C)CC(C)(c2ccccc2)c2ccccc21.Cc1[nH]c(-c2ccc(-c3[nH]c(C)c(-c4ccccc4)[nH+]3)cc2)nc1-c1ccccc1.O=C1OC(c2ccccc2)(c2ccccc2)c2ccccc21.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.c1ccc(C2(c3ccccc3)CCc3ccccc32)cc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole?
The InChIKey is DXCCACQQWAOXOK-UHFFFAOYSA-O. The full InChI is InChI=1S/C26H22N4.C21H16N2.C21H18.C20H14O2.C18H20.C14H14.8C6H6.2C5H12.19C2H6/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;1-3-10-18(11-4-1)21(19-12-5-2-6-13-19)16-15-17-9-7-8-14-20(17)21;21-19-17-13-7-8-14-18(17)20(22-19,15-9-3-1-4-10-15)16-11-5-2-6-12-16;1-17(2)13-18(3,14-9-5-4-6-10-14)16-12-8-7-11-15(16)17;1-12(13-8-4-2-5-9-13)14-10-6-3-7-11-14;8*1-2-4-6-5-3-1;2*1-5(2,3)4;19*1-2/h3-16H,1-2H3,(H,27,29)(H,28,30);1-15H,(H,22,23);1-14H,15-16H2;1-14H;4-12H,13H2,1-3H3;2-12H,1H3;8*1-6H;2*1-4H3;19*1-2H3/p+1.
What are the key properties of benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole?
benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole has a molecular weight of 3003.74 g/mol, XLogP of 65.97, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;bis(2,2-dimethylpropane);3,3-diphenyl-2-benzofuran-1-one;3,3-diphenyl-1,2-dihydroindene;ethane;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;1-phenylethylbenzene;1,1,3-trimethyl-3-phenyl-2H-indene;2,4,5-triphenyl-1H-imidazole is sourced from PubChem (CID 159864152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).