2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine

C26H28BrN — CID 139249283

IUPAC2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine
SMILESCCCCC1(CCCC)c2cc(Br)ccc2-c2ccc(-c3ccccn3)cc21
InChIInChI=1S/C26H28BrN/c1-3-5-14-26(15-6-4-2)23-17-19(25-9-7-8-16-28-25)10-12-21(23)22-13-11-20(27)18-24(22)26/h7-13,16-18H,3-6,14-15H2,1-2H3
InChIKeyXTXRSONMHTZMNS-UHFFFAOYSA-N
MW434.42 g/mol
LogP8.16
Rot. Bonds7

About 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine

2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine (PubChem CID 139249283) has the molecular formula C26H28BrN and a molecular weight of 434.42 g/mol. Its IUPAC name is 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine
PubChem CID139249283
Molecular FormulaC26H28BrN
Molecular Weight434.42 g/mol
Exact Mass433.14
IUPAC Name2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine
SMILESCCCCC1(CCCC)c2cc(Br)ccc2-c2ccc(-c3ccccn3)cc21
InChIInChI=1S/C26H28BrN/c1-3-5-14-26(15-6-4-2)23-17-19(25-9-7-8-16-28-25)10-12-21(23)22-13-11-20(27)18-24(22)26/h7-13,16-18H,3-6,14-15H2,1-2H3
InChIKeyXTXRSONMHTZMNS-UHFFFAOYSA-N
XLogP8.16
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.42
LogP ≤ 58.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine?
The IUPAC name of 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine (CID 139249283) is 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine.
What is the SMILES notation for 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine?
The canonical SMILES for 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine is CCCCC1(CCCC)c2cc(Br)ccc2-c2ccc(-c3ccccn3)cc21.
What is the InChIKey of 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine?
The InChIKey is XTXRSONMHTZMNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28BrN/c1-3-5-14-26(15-6-4-2)23-17-19(25-9-7-8-16-28-25)10-12-21(23)22-13-11-20(27)18-24(22)26/h7-13,16-18H,3-6,14-15H2,1-2H3.
What are the key properties of 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine?
2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine has a molecular weight of 434.42 g/mol, XLogP of 8.16, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-9,9-dibutylfluoren-2-yl)pyridine is sourced from PubChem (CID 139249283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).