3-(fluoren-9-ylidenemethyl)pyridine

C38H26N2 — CID 139138079

IUPAC3-(fluoren-9-ylidenemethyl)pyridine
SMILESC(=C1c2ccccc2-c2ccccc21)c1cccnc1.C(=C1c2ccccc2-c2ccccc21)c1cccnc1
InChIInChI=1S/2C19H13N/c2*1-3-9-17-15(7-1)16-8-2-4-10-18(16)19(17)12-14-6-5-11-20-13-14/h2*1-13H
InChIKeyQQJHSQKNTSNWIQ-UHFFFAOYSA-N
MW510.64 g/mol
LogP9.30
Rot. Bonds2

About 3-(fluoren-9-ylidenemethyl)pyridine

3-(fluoren-9-ylidenemethyl)pyridine (PubChem CID 139138079) has the molecular formula C38H26N2 and a molecular weight of 510.64 g/mol. Its IUPAC name is 3-(fluoren-9-ylidenemethyl)pyridine.

Molecular Properties

Compound Name3-(fluoren-9-ylidenemethyl)pyridine
PubChem CID139138079
Molecular FormulaC38H26N2
Molecular Weight510.64 g/mol
Exact Mass510.21
IUPAC Name3-(fluoren-9-ylidenemethyl)pyridine
SMILESC(=C1c2ccccc2-c2ccccc21)c1cccnc1.C(=C1c2ccccc2-c2ccccc21)c1cccnc1
InChIInChI=1S/2C19H13N/c2*1-3-9-17-15(7-1)16-8-2-4-10-18(16)19(17)12-14-6-5-11-20-13-14/h2*1-13H
InChIKeyQQJHSQKNTSNWIQ-UHFFFAOYSA-N
XLogP9.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.64
LogP ≤ 59.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(fluoren-9-ylidenemethyl)pyridine?
The IUPAC name of 3-(fluoren-9-ylidenemethyl)pyridine (CID 139138079) is 3-(fluoren-9-ylidenemethyl)pyridine.
What is the SMILES notation for 3-(fluoren-9-ylidenemethyl)pyridine?
The canonical SMILES for 3-(fluoren-9-ylidenemethyl)pyridine is C(=C1c2ccccc2-c2ccccc21)c1cccnc1.C(=C1c2ccccc2-c2ccccc21)c1cccnc1.
What is the InChIKey of 3-(fluoren-9-ylidenemethyl)pyridine?
The InChIKey is QQJHSQKNTSNWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C19H13N/c2*1-3-9-17-15(7-1)16-8-2-4-10-18(16)19(17)12-14-6-5-11-20-13-14/h2*1-13H.
What are the key properties of 3-(fluoren-9-ylidenemethyl)pyridine?
3-(fluoren-9-ylidenemethyl)pyridine has a molecular weight of 510.64 g/mol, XLogP of 9.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoren-9-ylidenemethyl)pyridine is sourced from PubChem (CID 139138079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).