5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole

C38H27N3O — CID 59691224

IUPAC5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C38H27N3O/c1-38(2)31-12-6-3-9-27(31)28-20-17-25(23-32(28)38)35-36(40-21-22-42-37(40)39-35)24-15-18-26(19-16-24)41-33-13-7-4-10-29(33)30-11-5-8-14-34(30)41/h3-23H,1-2H3
InChIKeyMLDSTTICZCIOQV-UHFFFAOYSA-N
MW541.65 g/mol
LogP9.66
Rot. Bonds3

About 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole

5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59691224) has the molecular formula C38H27N3O and a molecular weight of 541.65 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID59691224
Molecular FormulaC38H27N3O
Molecular Weight541.65 g/mol
Exact Mass541.22
IUPAC Name5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21
InChIInChI=1S/C38H27N3O/c1-38(2)31-12-6-3-9-27(31)28-20-17-25(23-32(28)38)35-36(40-21-22-42-37(40)39-35)24-15-18-26(19-16-24)41-33-13-7-4-10-29(33)30-11-5-8-14-34(30)41/h3-23H,1-2H3
InChIKeyMLDSTTICZCIOQV-UHFFFAOYSA-N
XLogP9.66
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500541.65
LogP ≤ 59.66
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-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole (CID 59691224) is 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole is CC1(C)c2ccccc2-c2ccc(-c3nc4occn4c3-c3ccc(-n4c5ccccc5c5ccccc54)cc3)cc21.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is MLDSTTICZCIOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H27N3O/c1-38(2)31-12-6-3-9-27(31)28-20-17-25(23-32(28)38)35-36(40-21-22-42-37(40)39-35)24-15-18-26(19-16-24)41-33-13-7-4-10-29(33)30-11-5-8-14-34(30)41/h3-23H,1-2H3.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
5-(4-carbazol-9-ylphenyl)-6-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 541.65 g/mol, XLogP of 9.66, 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-(9,9-dimethylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).