2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

C53H33F6N3OS2 — CID 101464374

About 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole

2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole (PubChem CID 101464374) has the molecular formula C53H33F6N3OS2 and a molecular weight of 905.99 g/mol. Its IUPAC name is 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
• PubChem CID: 101464374
• Molecular Formula: C53H33F6N3OS2
• Molecular Weight: 905.99 g/mol
• Exact Mass: 905.20
• IUPAC Name: 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole
• SMILES: Cc1sc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1C1=C(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C53H33F6N3OS2/c1-30-41(28-45(64-30)34-18-22-37(23-19-34)50-61-60-49(63-50)36-20-16-33(17-21-36)32-10-4-3-5-11-32)47-48(52(56,57)53(58,59)51(47,54)55)42-29-46(65-31(42)2)35-24-26-38(27-25-35)62-43-14-8-6-12-39(43)40-13-7-9-15-44(40)62/h3-29H,1-2H3
• InChIKey: SNZGCMMGSYNLQM-UHFFFAOYSA-N
• XLogP: 16.07
• TPSA: 43.85 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	905.99
LogP ≤ 5	16.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?

The IUPAC name of 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole (CID 101464374) is 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole.

What is the SMILES notation for 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?

The canonical SMILES for 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole is Cc1sc(-c2ccc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)cc2)cc1C1=C(c2cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)sc2C)C(F)(F)C(F)(F)C1(F)F.

What is the InChIKey of 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?

The InChIKey is SNZGCMMGSYNLQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C53H33F6N3OS2/c1-30-41(28-45(64-30)34-18-22-37(23-19-34)50-61-60-49(63-50)36-20-16-33(17-21-36)32-10-4-3-5-11-32)47-48(52(56,57)53(58,59)51(47,54)55)42-29-46(65-31(42)2)35-24-26-38(27-25-35)62-43-14-8-6-12-39(43)40-13-7-9-15-44(40)62/h3-29H,1-2H3.

What are the key properties of 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole?

2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole has a molecular weight of 905.99 g/mol, XLogP of 16.07, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[4-[2-[5-(4-carbazol-9-ylphenyl)-2-methylthiophen-3-yl]-3,3,4,4,5,5-hexafluorocyclopenten-1-yl]-5-methylthiophen-2-yl]phenyl]-5-(4-phenylphenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 101464374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).