5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine

C34H44BrN — CID 122679738

IUPAC5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(Br)cn3)cc21
InChIInChI=1S/C34H44BrN/c1-3-5-7-9-11-15-23-34(24-16-12-10-8-6-4-2)31-18-14-13-17-29(31)30-21-19-27(25-32(30)34)33-22-20-28(35)26-36-33/h13-14,17-22,25-26H,3-12,15-16,23-24H2,1-2H3
InChIKeyCOOKUGIXDYOMNA-UHFFFAOYSA-N
MW546.64 g/mol
LogP11.28
Rot. Bonds15

About 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine

5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine (PubChem CID 122679738) has the molecular formula C34H44BrN and a molecular weight of 546.64 g/mol. Its IUPAC name is 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine
PubChem CID122679738
Molecular FormulaC34H44BrN
Molecular Weight546.64 g/mol
Exact Mass545.27
IUPAC Name5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine
SMILESCCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(Br)cn3)cc21
InChIInChI=1S/C34H44BrN/c1-3-5-7-9-11-15-23-34(24-16-12-10-8-6-4-2)31-18-14-13-17-29(31)30-21-19-27(25-32(30)34)33-22-20-28(35)26-36-33/h13-14,17-22,25-26H,3-12,15-16,23-24H2,1-2H3
InChIKeyCOOKUGIXDYOMNA-UHFFFAOYSA-N
XLogP11.28
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.64
LogP ≤ 511.28
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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Related Compounds

2-bromo-9,9-dihexylfluorene
CID 18674600
2-bromo-7-[7-(9,9-dihexylfluoren-2-yl)-9,9-dimethylfluoren-2-yl]-9,9-dimethylfluorene
CID 59512866
2-(4-tert-butylphenyl)-5-(9,9-dihexylfluoren-2-yl)pyridine
CID 122395424
2-(9,9-dioctylfluoren-2-yl)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 140941455
9,9-dioctyl-2-(4-phenylphenyl)fluorene
CID 101073015
2-bromo-7-(7-bromo-9,9-dioctylfluoren-2-yl)-9,9-dioctylfluorene
CID 58676153
2-bromo-7-[7-[7-(7-bromo-9,9-dihexylfluoren-2-yl)-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluoren-2-yl]-9,9-dihexylfluorene
CID 101349913
N-(4-bromophenyl)-4-[2-(9,9-dihexylfluoren-2-yl)phenyl]aniline
CID 58202612
5-bromo-2-[9-(3,5-dihexylphenyl)-9-methylfluoren-2-yl]pyridine
CID 122679741
3-bromo-9,9-dioctylfluorene
CID 139567905
9-(9,9-dioctylfluoren-2-yl)-10-(9-heptyl-9-octylfluoren-2-yl)anthracene
CID 142821206
6-[9-(6-aminohexyl)-2,7-bis(9,9-dihexylfluoren-2-yl)fluoren-9-yl]hexan-1-amine
CID 101479425

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine?
The IUPAC name of 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine (CID 122679738) is 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine.
What is the SMILES notation for 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine?
The canonical SMILES for 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine is CCCCCCCCC1(CCCCCCCC)c2ccccc2-c2ccc(-c3ccc(Br)cn3)cc21.
What is the InChIKey of 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine?
The InChIKey is COOKUGIXDYOMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H44BrN/c1-3-5-7-9-11-15-23-34(24-16-12-10-8-6-4-2)31-18-14-13-17-29(31)30-21-19-27(25-32(30)34)33-22-20-28(35)26-36-33/h13-14,17-22,25-26H,3-12,15-16,23-24H2,1-2H3.
What are the key properties of 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine?
5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine has a molecular weight of 546.64 g/mol, XLogP of 11.28, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(9,9-dioctylfluoren-2-yl)pyridine is sourced from PubChem (CID 122679738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).