2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole

C₃₆H₃₇N₃O — CID 56648890

About 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole

2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 56648890) has the molecular formula C₃₆H₃₇N₃O and a molecular weight of 527.71 g/mol. Its IUPAC name is 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

• Compound Name: 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
• PubChem CID: 56648890
• Molecular Formula: C₃₆H₃₇N₃O
• Molecular Weight: 527.71 g/mol
• Exact Mass: 527.29
• IUPAC Name: 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole
• SMILES: Cc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1-n1c2ccccc2c2ccccc21
• InChI: InChI=1S/C36H37N3O/c1-21(2)26-19-29(22(3)4)34(30(20-26)23(5)6)36-38-37-35(40-36)25-16-17-31(24(7)18-25)39-32-14-10-8-12-27(32)28-13-9-11-15-33(28)39/h8-23H,1-7H3
• InChIKey: UIVQBXGABHKZGH-UHFFFAOYSA-N
• XLogP: 10.18
• TPSA: 43.85 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	527.71
LogP ≤ 5	10.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?

The IUPAC name of 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole (CID 56648890) is 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole.

What is the SMILES notation for 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?

The canonical SMILES for 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is Cc1cc(-c2nnc(-c3c(C(C)C)cc(C(C)C)cc3C(C)C)o2)ccc1-n1c2ccccc2c2ccccc21.

What is the InChIKey of 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?

The InChIKey is UIVQBXGABHKZGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37N3O/c1-21(2)26-19-29(22(3)4)34(30(20-26)23(5)6)36-38-37-35(40-36)25-16-17-31(24(7)18-25)39-32-14-10-8-12-27(32)28-13-9-11-15-33(28)39/h8-23H,1-7H3.

What are the key properties of 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole?

2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 527.71 g/mol, XLogP of 10.18, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-carbazol-9-yl-3-methylphenyl)-5-[2,4,6-tri(propan-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56648890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 56648890 — identifiers, structure, computed properties (public domain)

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