5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole

C29H18N4O — CID 59691209

IUPAC5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1nc2occn2c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H18N4O/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)32(23)27-28(31-17-18-34-29(31)30-27)33-25-15-7-3-11-21(25)22-12-4-8-16-26(22)33/h1-18H
InChIKeyRPYMIYDZCHJJEA-UHFFFAOYSA-N
MW438.49 g/mol
LogP7.12
Rot. Bonds2

About 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole

5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59691209) has the molecular formula C29H18N4O and a molecular weight of 438.49 g/mol. Its IUPAC name is 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID59691209
Molecular FormulaC29H18N4O
Molecular Weight438.49 g/mol
Exact Mass438.15
IUPAC Name5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole
SMILESc1ccc2c(c1)c1ccccc1n2-c1nc2occn2c1-n1c2ccccc2c2ccccc21
InChIInChI=1S/C29H18N4O/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)32(23)27-28(31-17-18-34-29(31)30-27)33-25-15-7-3-11-21(25)22-12-4-8-16-26(22)33/h1-18H
InChIKeyRPYMIYDZCHJJEA-UHFFFAOYSA-N
XLogP7.12
TPSA40.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.49
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

9-[2,5,6-tri(carbazol-9-yl)-3-pyridinyl]carbazole
CID 122400298
9-(5-carbazol-9-yl-3,6-dimethyl-2-pyridinyl)carbazole
CID 170652172
9-[3,6-bis(benzenesulfonyl)-5-carbazol-9-ylpyrazin-2-yl]carbazole
CID 145186154
2-carbazol-9-yl-1-(4-methylsulfonylphenyl)imidazo[2,1-b][1,3]benzoxazole
CID 71109289
9-[4-carbazol-9-yl-6-[4,6-di(carbazol-9-yl)-1,3,5-triazin-2-yl]-1,3,5-triazin-2-yl]carbazole
CID 149013970
9-[2,5,6-tri(carbazol-9-yl)-4-(2-pyridin-4-ylphenyl)-3-pyridinyl]carbazole
CID 151269669
3,4-di(carbazol-9-yl)-2,5,11,16-tetrazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(13),3,5,7(12),8,10,14,16-octaene
CID 176776078
9-(6-carbazol-9-yl-3-methyl-2-pyridinyl)carbazole
CID 170396111
(1-carbazol-9-ylisoquinolin-7-yl)-trimethylsilane
CID 153491076
4-carbazol-9-yl-2-chloro-[1]benzofuro[3,2-d]pyrimidine
CID 118232289
2,4,6-tri(carbazol-9-yl)pyridine-3,5-dicarbonitrile
CID 149222859
9-[6-carbazol-9-yl-4-[2,6-di(carbazol-9-yl)-4-pyridinyl]-2-pyridinyl]carbazole;9-[3-(2-carbazol-9-yl-3-pyridinyl)-2-pyridinyl]carbazole
CID 160623189

Frequently Asked Questions

What is the IUPAC name of 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole (CID 59691209) is 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole is c1ccc2c(c1)c1ccccc1n2-c1nc2occn2c1-n1c2ccccc2c2ccccc21.
What is the InChIKey of 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is RPYMIYDZCHJJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H18N4O/c1-5-13-23-19(9-1)20-10-2-6-14-24(20)32(23)27-28(31-17-18-34-29(31)30-27)33-25-15-7-3-11-21(25)22-12-4-8-16-26(22)33/h1-18H.
What are the key properties of 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole?
5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 438.49 g/mol, XLogP of 7.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-di(carbazol-9-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).