6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole

C33H20N4O — CID 126749750

IUPAC6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)nc1occn12
InChIInChI=1S/C33H20N4O/c1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-13-15-31-26(19-21)25-9-3-6-12-30(25)37(31)22-14-16-32-27(20-22)34-33-35(32)17-18-38-33/h1-20H
InChIKeyKTDZEEBUXCGKDK-UHFFFAOYSA-N
MW488.55 g/mol
LogP8.27
Rot. Bonds2

About 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole

6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole (PubChem CID 126749750) has the molecular formula C33H20N4O and a molecular weight of 488.55 g/mol. Its IUPAC name is 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
PubChem CID126749750
Molecular FormulaC33H20N4O
Molecular Weight488.55 g/mol
Exact Mass488.16
IUPAC Name6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)nc1occn12
InChIInChI=1S/C33H20N4O/c1-4-10-28-23(7-1)24-8-2-5-11-29(24)36(28)21-13-15-31-26(19-21)25-9-3-6-12-30(25)37(31)22-14-16-32-27(20-22)34-33-35(32)17-18-38-33/h1-20H
InChIKeyKTDZEEBUXCGKDK-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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Related Compounds

6-(4-Fluorophenyl)-5-(3-propan-2-ylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 24952852
5-(3-Ethylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 24952853
5-[3-(2,2-Dimethylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 59457832
1-(2,2-Dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
CID 59457834
5-(2,2-Dimethyl-1,3-dihydroimidazo[1,2-a]benzimidazol-7-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 136504841
6-(4-Fluorophenyl)-5-[3-(2-methylpropyl)benzotriazol-5-yl]imidazo[2,1-b][1,3]oxazole
CID 141490954
6-(4-Fluorophenyl)-5-(3-methylbenzotriazol-5-yl)imidazo[2,1-b][1,3]oxazole
CID 141490955
5-(3-Cyclohexylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 141490956
4-Fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
CID 141490957
6-[6-(4-Fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine
CID 141490959
5-[7-Fluoro-3-(2-methylpropyl)benzotriazol-5-yl]-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 141490960
5-(3-Tert-butylbenzotriazol-5-yl)-6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazole
CID 141490962

Frequently Asked Questions

What is the IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The IUPAC name of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole (CID 126749750) is 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole.
What is the SMILES notation for 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The canonical SMILES for 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole is c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)nc1occn12.
What is the InChIKey of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
The InChIKey is KTDZEEBUXCGKDK-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)21-13-15-31-26(19-21)25-9-3-6-12-30(25)37(31)22-14-16-32-27(20-22)34-33-35(32)17-18-38-33/h1-20H.
What are the key properties of 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole?
6-(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 6-(3-carbazol-9-ylcarbazol-9-yl)-[1,3]oxazolo[3,2-a]benzimidazole is sourced from PubChem (CID 126749750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).