7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole

C33H20N4O — CID 126749694

IUPAC7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3occn3c2c1
InChIInChI=1S/C33H20N4O/c1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-14-16-31-26(19-21)25-9-3-6-12-30(25)37(31)22-13-15-27-32(20-22)35-17-18-38-33(35)34-27/h1-20H
InChIKeyOORMYUPIKRMWIX-UHFFFAOYSA-N
MW488.55 g/mol
LogP8.27
Rot. Bonds2

About 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole

7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749694) has the molecular formula C33H20N4O and a molecular weight of 488.55 g/mol. Its IUPAC name is 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749694
Molecular FormulaC33H20N4O
Molecular Weight488.55 g/mol
Exact Mass488.16
IUPAC Name7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3occn3c2c1
InChIInChI=1S/C33H20N4O/c1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-14-16-31-26(19-21)25-9-3-6-12-30(25)37(31)22-13-15-27-32(20-22)35-17-18-38-33(35)34-27/h1-20H
InChIKeyOORMYUPIKRMWIX-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 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749694) is 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2nc3occn3c2c1.
What is the InChIKey of 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is OORMYUPIKRMWIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H20N4O/c1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-14-16-31-26(19-21)25-9-3-6-12-30(25)37(31)22-13-15-27-32(20-22)35-17-18-38-33(35)34-27/h1-20H.
What are the key properties of 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
7-(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 7-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).