4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine

C38H52BrN — CID 19078316

IUPAC4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C38H52BrN/c1-3-5-7-9-11-13-15-17-25-38(26-18-16-14-12-10-8-6-4-2)36-29-32(31-23-27-40-28-24-31)19-21-34(36)35-22-20-33(39)30-37(35)38/h19-24,27-30H,3-18,25-26H2,1-2H3
InChIKeyHEZPLVKWGBYIOG-UHFFFAOYSA-N
MW602.75 g/mol
LogP12.84
Rot. Bonds19

About 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine

4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine (PubChem CID 19078316) has the molecular formula C38H52BrN and a molecular weight of 602.75 g/mol. Its IUPAC name is 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine
PubChem CID19078316
Molecular FormulaC38H52BrN
Molecular Weight602.75 g/mol
Exact Mass601.33
IUPAC Name4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine
SMILESCCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccncc3)cc21
InChIInChI=1S/C38H52BrN/c1-3-5-7-9-11-13-15-17-25-38(26-18-16-14-12-10-8-6-4-2)36-29-32(31-23-27-40-28-24-31)19-21-34(36)35-22-20-33(39)30-37(35)38/h19-24,27-30H,3-18,25-26H2,1-2H3
InChIKeyHEZPLVKWGBYIOG-UHFFFAOYSA-N
XLogP12.84
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500602.75
LogP ≤ 512.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine?
The IUPAC name of 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine (CID 19078316) is 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine.
What is the SMILES notation for 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine?
The canonical SMILES for 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine is CCCCCCCCCCC1(CCCCCCCCCC)c2cc(Br)ccc2-c2ccc(-c3ccncc3)cc21.
What is the InChIKey of 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine?
The InChIKey is HEZPLVKWGBYIOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H52BrN/c1-3-5-7-9-11-13-15-17-25-38(26-18-16-14-12-10-8-6-4-2)36-29-32(31-23-27-40-28-24-31)19-21-34(36)35-22-20-33(39)30-37(35)38/h19-24,27-30H,3-18,25-26H2,1-2H3.
What are the key properties of 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine?
4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine has a molecular weight of 602.75 g/mol, XLogP of 12.84, 19 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-bromo-9,9-didecylfluoren-2-yl)pyridine is sourced from PubChem (CID 19078316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).