2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole

C200H202N20O2S4 — CID 158972321

About 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole

2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole (PubChem CID 158972321) has the molecular formula C200H202N20O2S4 and a molecular weight of 3046.22 g/mol. Its IUPAC name is 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole.

Molecular Properties

• Compound Name: 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole
• PubChem CID: 158972321
• Molecular Formula: C200H202N20O2S4
• Molecular Weight: 3046.22 g/mol
• Exact Mass: 3043.52
• IUPAC Name: 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole
• SMILES: CC.CC.Cc1ccc(-c2ccc(-c3ccc(C)s3)c3c2=NCN=3)s1.Cc1ccc(-c2nnc(-c3ccc(C)cc3)n2C)cc1.Cc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.Cc1ccc(C)c2c1=NCN=2.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1N2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2c3ccc(C)cc3n(C)c2c1.Cc1nnc(C)n1C.Cc1nnc(C)o1.[C-]#[N+]C(C#N)=C1C=C(/C=C/c2ccc(C)s2)CC(/C=C/c2ccc(C)s2)=C1
• InChI: InChI=1S/C27H20.C23H18N2S2.C17H17N3.C17H14N2S2.C17H18.C16H14N2O.C16H17N.2C15H15N.C15H17N.C9H10N2.C5H9N3.C4H6N2O.2C2H6/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-16-4-8-21(26-16)10-6-18-12-19(7-11-22-9-5-17(2)27-22)14-20(13-18)23(15-24)25-3;1-12-4-8-14(9-5-12)16-18-19-17(20(16)3)15-10-6-13(2)7-11-15;1-10-3-7-14(20-10)12-5-6-13(15-8-4-11(2)21-15)17-16(12)18-9-19-17;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14;1-11-4-6-15-13(8-11)10-14-9-12(2)5-7-16(14)17(15)3;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-10-4-6-12-13-7-5-11(2)9-15(13)16(3)14(12)8-10;1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;1-6-3-4-7(2)9-8(6)10-5-11-9;1-4-6-7-5(2)8(4)3;1-3-5-6-4(2)7-3;2*1-2/h3-16H,1-2H3;4-11,13-14H,12H2,1-2H3;4-11H,1-3H3;3-8H,9H2,1-2H3;5-10H,1-4H3;3-10H,1-2H3;4-9H,10H2,1-3H3;2*4-9H,1-3H3;4-11H,1-3H3;3-4H,5H2,1-2H3;1-3H3;1-2H3;2*1-2H3/b;10-6+,11-7+
• InChIKey: JNYULLPZCKGQPH-BNNQDZNNSA-N
• XLogP: 49.75
• TPSA: 233.19 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3046.22
LogP ≤ 5	49.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole?

The IUPAC name of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole (CID 158972321) is 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole.

What is the SMILES notation for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole?

The canonical SMILES for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole is CC.CC.Cc1ccc(-c2ccc(-c3ccc(C)s3)c3c2=NCN=3)s1.Cc1ccc(-c2nnc(-c3ccc(C)cc3)n2C)cc1.Cc1ccc(-c2nnc(-c3ccc(C)cc3)o2)cc1.Cc1ccc(C)c2c1=NCN=2.Cc1ccc(N(C)c2ccc(C)cc2)cc1.Cc1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.Cc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1cc(C)ccc1-2.Cc1ccc2c(c1)Cc1cc(C)ccc1N2C.Cc1ccc2c(c1)c1cc(C)ccc1n2C.Cc1ccc2c3ccc(C)cc3n(C)c2c1.Cc1nnc(C)n1C.Cc1nnc(C)o1.[C-]#[N+]C(C#N)=C1C=C(/C=C/c2ccc(C)s2)CC(/C=C/c2ccc(C)s2)=C1.

What is the InChIKey of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole?

The InChIKey is JNYULLPZCKGQPH-BNNQDZNNSA-N. The full InChI is InChI=1S/C27H20.C23H18N2S2.C17H17N3.C17H14N2S2.C17H18.C16H14N2O.C16H17N.2C15H15N.C15H17N.C9H10N2.C5H9N3.C4H6N2O.2C2H6/c1-17-11-13-21-22-14-12-18(2)16-26(22)27(25(21)15-17)23-9-5-3-7-19(23)20-8-4-6-10-24(20)27;1-16-4-8-21(26-16)10-6-18-12-19(7-11-22-9-5-17(2)27-22)14-20(13-18)23(15-24)25-3;1-12-4-8-14(9-5-12)16-18-19-17(20(16)3)15-10-6-13(2)7-11-15;1-10-3-7-14(20-10)12-5-6-13(15-8-4-11(2)21-15)17-16(12)18-9-19-17;1-11-5-7-13-14-8-6-12(2)10-16(14)17(3,4)15(13)9-11;1-11-3-7-13(8-4-11)15-17-18-16(19-15)14-9-5-12(2)6-10-14;1-11-4-6-15-13(8-11)10-14-9-12(2)5-7-16(14)17(15)3;1-10-4-6-14-12(8-10)13-9-11(2)5-7-15(13)16(14)3;1-10-4-6-12-13-7-5-11(2)9-15(13)16(3)14(12)8-10;1-12-4-8-14(9-5-12)16(3)15-10-6-13(2)7-11-15;1-6-3-4-7(2)9-8(6)10-5-11-9;1-4-6-7-5(2)8(4)3;1-3-5-6-4(2)7-3;2*1-2/h3-16H,1-2H3;4-11,13-14H,12H2,1-2H3;4-11H,1-3H3;3-8H,9H2,1-2H3;5-10H,1-4H3;3-10H,1-2H3;4-9H,10H2,1-3H3;2*4-9H,1-3H3;4-11H,1-3H3;3-4H,5H2,1-2H3;1-3H3;1-2H3;2*1-2H3/b;10-6+,11-7+;;;;;;;;;;;;;.

What are the key properties of 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole?

2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole has a molecular weight of 3046.22 g/mol, XLogP of 49.75, 12 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis(4-methylphenyl)-1,3,4-oxadiazole;4,7-bis(5-methylthiophen-2-yl)-2H-benzimidazole;2-[3,5-bis[(E)-2-(5-methylthiophen-2-yl)ethenyl]cyclohexa-2,5-dien-1-ylidene]-2-isocyanoacetonitrile;4,7-dimethyl-2H-benzimidazole;N,4-dimethyl-N-(4-methylphenyl)aniline;2,5-dimethyl-1,3,4-oxadiazole;2',7'-dimethyl-9,9'-spirobi[fluorene];ethane;4-methyl-3,5-bis(4-methylphenyl)-1,2,4-triazole;2,7,9,9-tetramethylfluorene;2,7,10-trimethyl-9H-acridine;2,7,9-trimethylcarbazole;3,6,9-trimethylcarbazole;3,4,5-trimethyl-1,2,4-triazole is sourced from PubChem (CID 158972321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).