2-(7,9,9-trimethylfluoren-2-yl)pyridine

C21H19N — CID 140941467

IUPAC2-(7,9,9-trimethylfluoren-2-yl)pyridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccccn3)ccc1-2
InChIInChI=1S/C21H19N/c1-14-7-9-16-17-10-8-15(20-6-4-5-11-22-20)13-19(17)21(2,3)18(16)12-14/h4-13H,1-3H3
InChIKeyQBNGUPNMBOZZAF-UHFFFAOYSA-N
MW285.39 g/mol
LogP5.36
Rot. Bonds1

About 2-(7,9,9-trimethylfluoren-2-yl)pyridine

2-(7,9,9-trimethylfluoren-2-yl)pyridine (PubChem CID 140941467) has the molecular formula C21H19N and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-(7,9,9-trimethylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name2-(7,9,9-trimethylfluoren-2-yl)pyridine
PubChem CID140941467
Molecular FormulaC21H19N
Molecular Weight285.39 g/mol
Exact Mass285.15
IUPAC Name2-(7,9,9-trimethylfluoren-2-yl)pyridine
SMILESCc1ccc2c(c1)C(C)(C)c1cc(-c3ccccn3)ccc1-2
InChIInChI=1S/C21H19N/c1-14-7-9-16-17-10-8-15(20-6-4-5-11-22-20)13-19(17)21(2,3)18(16)12-14/h4-13H,1-3H3
InChIKeyQBNGUPNMBOZZAF-UHFFFAOYSA-N
XLogP5.36
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms22
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.39
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7,9,9-trimethylfluoren-2-yl)pyridine?
The IUPAC name of 2-(7,9,9-trimethylfluoren-2-yl)pyridine (CID 140941467) is 2-(7,9,9-trimethylfluoren-2-yl)pyridine.
What is the SMILES notation for 2-(7,9,9-trimethylfluoren-2-yl)pyridine?
The canonical SMILES for 2-(7,9,9-trimethylfluoren-2-yl)pyridine is Cc1ccc2c(c1)C(C)(C)c1cc(-c3ccccn3)ccc1-2.
What is the InChIKey of 2-(7,9,9-trimethylfluoren-2-yl)pyridine?
The InChIKey is QBNGUPNMBOZZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N/c1-14-7-9-16-17-10-8-15(20-6-4-5-11-22-20)13-19(17)21(2,3)18(16)12-14/h4-13H,1-3H3.
What are the key properties of 2-(7,9,9-trimethylfluoren-2-yl)pyridine?
2-(7,9,9-trimethylfluoren-2-yl)pyridine has a molecular weight of 285.39 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,9,9-trimethylfluoren-2-yl)pyridine is sourced from PubChem (CID 140941467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).