2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene

C27H28 — CID 123535187

IUPAC2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene
SMILESC=CC(C)c1cc(C)ccc1-c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C27H28/c1-7-19(4)24-14-17(2)8-11-21(24)20-10-13-23-22-12-9-18(3)15-25(22)27(5,6)26(23)16-20/h7-16,19H,1H2,2-6H3
InChIKeyIEYXPQNYSLJFNU-UHFFFAOYSA-N
MW352.52 g/mol
LogP7.57
Rot. Bonds3

About 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene

2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene (PubChem CID 123535187) has the molecular formula C27H28 and a molecular weight of 352.52 g/mol. Its IUPAC name is 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene.

Molecular Properties

Compound Name2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene
PubChem CID123535187
Molecular FormulaC27H28
Molecular Weight352.52 g/mol
Exact Mass352.22
IUPAC Name2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene
SMILESC=CC(C)c1cc(C)ccc1-c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2
InChIInChI=1S/C27H28/c1-7-19(4)24-14-17(2)8-11-21(24)20-10-13-23-22-12-9-18(3)15-25(22)27(5,6)26(23)16-20/h7-16,19H,1H2,2-6H3
InChIKeyIEYXPQNYSLJFNU-UHFFFAOYSA-N
XLogP7.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.52
LogP ≤ 57.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,7,9,9-tetramethylfluorene
CID 22951928
2,9,9-trimethyl-7-[3-(7,9,9-trimethylfluoren-2-yl)phenyl]fluorene
CID 58943521
2-(7,9,9-trimethylfluoren-2-yl)-5-[5-(7,9,9-trimethylfluoren-2-yl)thiophen-2-yl]thiophene
CID 59167067
2,3,4-trimethyl-5-(7,9,9-trimethylfluoren-2-yl)thiophene
CID 58880749
2,6,9,9-tetramethylfluorene
CID 23527438
ethane;methane;2,9,9-trimethylfluorene
CID 144920604
9-[9,9-dimethyl-7-(7,9,9-trimethylfluoren-2-yl)fluoren-2-yl]phenanthrene
CID 143227241
3,6-dimethylfluoren-9-one;methane;2,7,9,9-tetramethylfluorene;3,6,9,9-tetramethylfluorene
CID 163766045
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
2,4-diphenyl-6-[4-[4-(7,9,9-trimethylfluoren-2-yl)naphthalen-1-yl]phenyl]-1,3,5-triazine
CID 157292922
2-(4-methylphenyl)-4-phenyl-6-[4-(7,9,9-trimethylfluoren-2-yl)phenyl]-1,3,5-triazine
CID 20724533

Frequently Asked Questions

What is the IUPAC name of 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene?
The IUPAC name of 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene (CID 123535187) is 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene.
What is the SMILES notation for 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene?
The canonical SMILES for 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene is C=CC(C)c1cc(C)ccc1-c1ccc2c(c1)C(C)(C)c1cc(C)ccc1-2.
What is the InChIKey of 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene?
The InChIKey is IEYXPQNYSLJFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28/c1-7-19(4)24-14-17(2)8-11-21(24)20-10-13-23-22-12-9-18(3)15-25(22)27(5,6)26(23)16-20/h7-16,19H,1H2,2-6H3.
What are the key properties of 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene?
2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene has a molecular weight of 352.52 g/mol, XLogP of 7.57, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-but-3-en-2-yl-4-methylphenyl)-7,9,9-trimethylfluorene is sourced from PubChem (CID 123535187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).