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

C48H31N3O — CID 59691089

IUPAC5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5occn5c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1
InChIInChI=1S/C48H31N3O/c1-3-13-34(14-4-1)48(35-15-5-2-6-16-35)41-20-10-7-17-37(41)38-28-25-33(31-42(38)48)45-46(50-29-30-52-47(50)49-45)32-23-26-36(27-24-32)51-43-21-11-8-18-39(43)40-19-9-12-22-44(40)51/h1-31H
InChIKeyVUPJECMKRRBUIY-UHFFFAOYSA-N
MW665.80 g/mol
LogP11.72
Rot. Bonds5

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

5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59691089) has the molecular formula C48H31N3O and a molecular weight of 665.80 g/mol. Its IUPAC name is 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID59691089
Molecular FormulaC48H31N3O
Molecular Weight665.80 g/mol
Exact Mass665.25
IUPAC Name5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole
SMILESc1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5occn5c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1
InChIInChI=1S/C48H31N3O/c1-3-13-34(14-4-1)48(35-15-5-2-6-16-35)41-20-10-7-17-37(41)38-28-25-33(31-42(38)48)45-46(50-29-30-52-47(50)49-45)32-23-26-36(27-24-32)51-43-21-11-8-18-39(43)40-19-9-12-22-44(40)51/h1-31H
InChIKeyVUPJECMKRRBUIY-UHFFFAOYSA-N
XLogP11.72
TPSA35.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500665.80
LogP ≤ 511.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole (CID 59691089) is 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole is c1ccc(C2(c3ccccc3)c3ccccc3-c3ccc(-c4nc5occn5c4-c4ccc(-n5c6ccccc6c6ccccc65)cc4)cc32)cc1.
What is the InChIKey of 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is VUPJECMKRRBUIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3O/c1-3-13-34(14-4-1)48(35-15-5-2-6-16-35)41-20-10-7-17-37(41)38-28-25-33(31-42(38)48)45-46(50-29-30-52-47(50)49-45)32-23-26-36(27-24-32)51-43-21-11-8-18-39(43)40-19-9-12-22-44(40)51/h1-31H.
What are the key properties of 5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole?
5-(4-carbazol-9-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 665.80 g/mol, XLogP of 11.72, 5 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-diphenylfluoren-2-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59691089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).