2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole

C₅₂H₃₆N₄O — CID 139237926

About 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole

2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole (PubChem CID 139237926) has the molecular formula C₅₂H₃₆N₄O and a molecular weight of 732.89 g/mol. Its IUPAC name is 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
• PubChem CID: 139237926
• Molecular Formula: C₅₂H₃₆N₄O
• Molecular Weight: 732.89 g/mol
• Exact Mass: 732.29
• IUPAC Name: 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1nnc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C)o1
• InChI: InChI=1S/C52H36N4O/c1-33-31-37(35-19-25-39(26-20-35)55-47-15-7-3-11-43(47)44-12-4-8-16-48(44)55)23-29-41(33)51-53-54-52(57-51)42-30-24-38(32-34(42)2)36-21-27-40(28-22-36)56-49-17-9-5-13-45(49)46-14-6-10-18-50(46)56/h3-32H,1-2H3
• InChIKey: ASZKCHWBQJYUJS-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 48.78 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	732.89
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?

The IUPAC name of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole (CID 139237926) is 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole is Cc1cc(-c2ccc(-n3c4ccccc4c4ccccc43)cc2)ccc1-c1nnc(-c2ccc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc2C)o1.

What is the InChIKey of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?

The InChIKey is ASZKCHWBQJYUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H36N4O/c1-33-31-37(35-19-25-39(26-20-35)55-47-15-7-3-11-43(47)44-12-4-8-16-48(44)55)23-29-41(33)51-53-54-52(57-51)42-30-24-38(32-34(42)2)36-21-27-40(28-22-36)56-49-17-9-5-13-45(49)46-14-6-10-18-50(46)56/h3-32H,1-2H3.

What are the key properties of 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole?

2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole has a molecular weight of 732.89 g/mol, XLogP of 13.55, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2,5-bis[4-(4-carbazol-9-ylphenyl)-2-methylphenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 139237926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 139237926 — identifiers, structure, computed properties (public domain)

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