5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole

C32H24N2S — CID 59691154

IUPAC5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)nc4sccn34)cc21
InChIInChI=1S/C32H24N2S/c1-32(2)27-11-7-6-10-25(27)26-17-16-24(20-28(26)32)30-29(33-31-34(30)18-19-35-31)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-20H,1-2H3
InChIKeyKBWDAULSCTZHGC-UHFFFAOYSA-N
MW468.63 g/mol
LogP8.70
Rot. Bonds3

About 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole

5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole (PubChem CID 59691154) has the molecular formula C32H24N2S and a molecular weight of 468.63 g/mol. Its IUPAC name is 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
PubChem CID59691154
Molecular FormulaC32H24N2S
Molecular Weight468.63 g/mol
Exact Mass468.17
IUPAC Name5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)nc4sccn34)cc21
InChIInChI=1S/C32H24N2S/c1-32(2)27-11-7-6-10-25(27)26-17-16-24(20-28(26)32)30-29(33-31-34(30)18-19-35-31)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-20H,1-2H3
InChIKeyKBWDAULSCTZHGC-UHFFFAOYSA-N
XLogP8.70
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.63
LogP ≤ 58.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole (CID 59691154) is 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole is CC1(C)c2ccccc2-c2ccc(-c3c(-c4ccc(-c5ccccc5)cc4)nc4sccn34)cc21.
What is the InChIKey of 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
The InChIKey is KBWDAULSCTZHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H24N2S/c1-32(2)27-11-7-6-10-25(27)26-17-16-24(20-28(26)32)30-29(33-31-34(30)18-19-35-31)23-14-12-22(13-15-23)21-8-4-3-5-9-21/h3-20H,1-2H3.
What are the key properties of 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole?
5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole has a molecular weight of 468.63 g/mol, XLogP of 8.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(9,9-dimethylfluoren-2-yl)-6-(4-phenylphenyl)imidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59691154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).