5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

C33H21N3O — CID 59691112

IUPAC5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc2cc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1
InChIInChI=1S/C33H21N3O/c1-2-8-24-21-25(14-13-22(24)7-1)31-32(35-19-20-37-33(35)34-31)23-15-17-26(18-16-23)36-29-11-5-3-9-27(29)28-10-4-6-12-30(28)36/h1-21H
InChIKeyVHYNLFDGGDUWNT-UHFFFAOYSA-N
MW475.55 g/mol
LogP8.51
Rot. Bonds3

About 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole

5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (PubChem CID 59691112) has the molecular formula C33H21N3O and a molecular weight of 475.55 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
PubChem CID59691112
Molecular FormulaC33H21N3O
Molecular Weight475.55 g/mol
Exact Mass475.17
IUPAC Name5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole
SMILESc1ccc2cc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1
InChIInChI=1S/C33H21N3O/c1-2-8-24-21-25(14-13-22(24)7-1)31-32(35-19-20-37-33(35)34-31)23-15-17-26(18-16-23)36-29-11-5-3-9-27(29)28-10-4-6-12-30(28)36/h1-21H
InChIKeyVHYNLFDGGDUWNT-UHFFFAOYSA-N
XLogP8.51
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.55
LogP ≤ 58.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole (CID 59691112) is 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is c1ccc2cc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)ccc2c1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
The InChIKey is VHYNLFDGGDUWNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H21N3O/c1-2-8-24-21-25(14-13-22(24)7-1)31-32(35-19-20-37-33(35)34-31)23-15-17-26(18-16-23)36-29-11-5-3-9-27(29)28-10-4-6-12-30(28)36/h1-21H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole?
5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole has a molecular weight of 475.55 g/mol, XLogP of 8.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-carbazol-9-ylphenyl)-6-naphthalen-2-ylimidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).