4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine

C25H19BrN2 — CID 15296108

IUPAC4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
SMILESBrc1ccc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1ccccc1-2
InChIInChI=1S/C25H19BrN2/c26-20-5-6-22-21-3-1-2-4-23(21)25(24(22)15-20,16-18-7-11-27-12-8-18)17-19-9-13-28-14-10-19/h1-15H,16-17H2
InChIKeyDCWCKTVIBXVWOY-UHFFFAOYSA-N
MW427.35 g/mol
LogP5.99
Rot. Bonds4

About 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine

4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine (PubChem CID 15296108) has the molecular formula C25H19BrN2 and a molecular weight of 427.35 g/mol. Its IUPAC name is 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine.

Molecular Properties

Compound Name4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
PubChem CID15296108
Molecular FormulaC25H19BrN2
Molecular Weight427.35 g/mol
Exact Mass426.07
IUPAC Name4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine
SMILESBrc1ccc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1ccccc1-2
InChIInChI=1S/C25H19BrN2/c26-20-5-6-22-21-3-1-2-4-23(21)25(24(22)15-20,16-18-7-11-27-12-8-18)17-19-9-13-28-14-10-19/h1-15H,16-17H2
InChIKeyDCWCKTVIBXVWOY-UHFFFAOYSA-N
XLogP5.99
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.35
LogP ≤ 55.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
The IUPAC name of 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine (CID 15296108) is 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine.
What is the SMILES notation for 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
The canonical SMILES for 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine is Brc1ccc2c(c1)C(Cc1ccncc1)(Cc1ccncc1)c1ccccc1-2.
What is the InChIKey of 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
The InChIKey is DCWCKTVIBXVWOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19BrN2/c26-20-5-6-22-21-3-1-2-4-23(21)25(24(22)15-20,16-18-7-11-27-12-8-18)17-19-9-13-28-14-10-19/h1-15H,16-17H2.
What are the key properties of 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine?
4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine has a molecular weight of 427.35 g/mol, XLogP of 5.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-bromo-9-(pyridin-4-ylmethyl)fluoren-9-yl]methyl]pyridine is sourced from PubChem (CID 15296108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).