5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole

C33H20N4O — CID 126749734

IUPAC5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1nc1occn12
InChIInChI=1S/C33H20N4O/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)36(26)21-16-17-29-25(20-21)24-10-3-6-13-28(24)37(29)31-15-7-14-30-32(31)34-33-35(30)18-19-38-33/h1-20H
InChIKeyRXXVGFQXMZURKP-UHFFFAOYSA-N
MW488.55 g/mol
LogP8.27
Rot. Bonds2

About 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole

5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749734) has the molecular formula C33H20N4O and a molecular weight of 488.55 g/mol. Its IUPAC name is 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749734
Molecular FormulaC33H20N4O
Molecular Weight488.55 g/mol
Exact Mass488.16
IUPAC Name5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1nc1occn12
InChIInChI=1S/C33H20N4O/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)36(26)21-16-17-29-25(20-21)24-10-3-6-13-28(24)37(29)31-15-7-14-30-32(31)34-33-35(30)18-19-38-33/h1-20H
InChIKeyRXXVGFQXMZURKP-UHFFFAOYSA-N
XLogP8.27
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.55
LogP ≤ 58.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749734) is 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1cccc2c1nc1occn12.
What is the InChIKey of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is RXXVGFQXMZURKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O/c1-4-11-26-22(8-1)23-9-2-5-12-27(23)36(26)21-16-17-29-25(20-21)24-10-3-6-13-28(24)37(29)31-15-7-14-30-32(31)34-33-35(30)18-19-38-33/h1-20H.
What are the key properties of 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole has a molecular weight of 488.55 g/mol, XLogP of 8.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).