2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene

C23H24S — CID 58880749

IUPAC2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3sc(C)c(C)c3C)ccc1-2
InChIInChI=1S/C23H24S/c1-13-7-9-18-19-10-8-17(22-15(3)14(2)16(4)24-22)12-21(19)23(5,6)20(18)11-13/h7-12H,1-6H3
InChIKeyLGUCGMXPIFFZRG-UHFFFAOYSA-N
MW332.51 g/mol
LogP6.96
Rot. Bonds1

About 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene

2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene (PubChem CID 58880749) has the molecular formula C23H24S and a molecular weight of 332.51 g/mol. Its IUPAC name is 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene.

Molecular Properties

Compound Name2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene
PubChem CID58880749
Molecular FormulaC23H24S
Molecular Weight332.51 g/mol
Exact Mass332.16
IUPAC Name2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3sc(C)c(C)c3C)ccc1-2
InChIInChI=1S/C23H24S/c1-13-7-9-18-19-10-8-17(22-15(3)14(2)16(4)24-22)12-21(19)23(5,6)20(18)11-13/h7-12H,1-6H3
InChIKeyLGUCGMXPIFFZRG-UHFFFAOYSA-N
XLogP6.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.51
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
2,7,9,9-tetramethylfluorene
CID 22951928
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
1-(9,9-dimethylfluoren-2-yl)-3-methyl-2-benzothiophene
CID 122577342
2,6,9,9-tetramethylfluorene
CID 23527438
3,4,4,5,5,7-hexamethyl-2-(4-methylphenyl)benzo[g][1]benzothiole
CID 90243989
2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene
CID 123535187
7-methyl-4-(7,9,9-trimethylfluoren-2-yl)-2,1,3-benzothiadiazole
CID 20593658
2-(7,9,9-trimethylfluoren-2-yl)pyridine
CID 140941467
7-methyl-2-(7,9,9-trimethylfluoren-2-yl)-[1]benzothiolo[7,6-g][1]benzothiole
CID 71102116
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533
ethane;methane;2,9,9-trimethylfluorene
CID 144920604

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene?
The IUPAC name of 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene (CID 58880749) is 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene.
What is the SMILES notation for 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene?
The canonical SMILES for 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene is Cc1ccc2c(c1)C(C)(C)c1cc(-c3sc(C)c(C)c3C)ccc1-2.
What is the InChIKey of 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene?
The InChIKey is LGUCGMXPIFFZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24S/c1-13-7-9-18-19-10-8-17(22-15(3)14(2)16(4)24-22)12-21(19)23(5,6)20(18)11-13/h7-12H,1-6H3.
What are the key properties of 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene?
2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene has a molecular weight of 332.51 g/mol, XLogP of 6.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene is sourced from PubChem (CID 58880749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).