5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole

C36H26N2S — CID 59691148

IUPAC5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5sccn45)cc3)cc21
InChIInChI=1S/C36H26N2S/c1-36(2)31-10-6-5-9-29(31)30-18-17-27(22-32(30)36)24-11-14-25(15-12-24)34-33(37-35-38(34)19-20-39-35)28-16-13-23-7-3-4-8-26(23)21-28/h3-22H,1-2H3
InChIKeyVMLAWJUZHJVCBG-UHFFFAOYSA-N
MW518.69 g/mol
LogP9.86
Rot. Bonds3

About 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole

5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole (PubChem CID 59691148) has the molecular formula C36H26N2S and a molecular weight of 518.69 g/mol. Its IUPAC name is 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole.

Molecular Properties

Compound Name5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole
PubChem CID59691148
Molecular FormulaC36H26N2S
Molecular Weight518.69 g/mol
Exact Mass518.18
IUPAC Name5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole
SMILESCC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5sccn45)cc3)cc21
InChIInChI=1S/C36H26N2S/c1-36(2)31-10-6-5-9-29(31)30-18-17-27(22-32(30)36)24-11-14-25(15-12-24)34-33(37-35-38(34)19-20-39-35)28-16-13-23-7-3-4-8-26(23)21-28/h3-22H,1-2H3
InChIKeyVMLAWJUZHJVCBG-UHFFFAOYSA-N
XLogP9.86
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500518.69
LogP ≤ 59.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
The IUPAC name of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole (CID 59691148) is 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole.
What is the SMILES notation for 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
The canonical SMILES for 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole is CC1(C)c2ccccc2-c2ccc(-c3ccc(-c4c(-c5ccc6ccccc6c5)nc5sccn45)cc3)cc21.
What is the InChIKey of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
The InChIKey is VMLAWJUZHJVCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N2S/c1-36(2)31-10-6-5-9-29(31)30-18-17-27(22-32(30)36)24-11-14-25(15-12-24)34-33(37-35-38(34)19-20-39-35)28-16-13-23-7-3-4-8-26(23)21-28/h3-22H,1-2H3.
What are the key properties of 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole?
5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole has a molecular weight of 518.69 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(9,9-dimethylfluoren-2-yl)phenyl]-6-naphthalen-2-ylimidazo[2,1-b][1,3]thiazole is sourced from PubChem (CID 59691148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).