2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine

C22H19N — CID 129095490

IUPAC2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine
SMILESC=Cc1cc2c(cc1-c1ccccn1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C22H19N/c1-4-15-13-18-16-9-5-6-10-19(16)22(2,3)20(18)14-17(15)21-11-7-8-12-23-21/h4-14H,1H2,2-3H3
InChIKeyOESDRPOBVMUALV-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.70
Rot. Bonds2

About 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine

2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine (PubChem CID 129095490) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine.

Molecular Properties

Compound Name2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine
PubChem CID129095490
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine
SMILESC=Cc1cc2c(cc1-c1ccccn1)C(C)(C)c1ccccc1-2
InChIInChI=1S/C22H19N/c1-4-15-13-18-16-9-5-6-10-19(16)22(2,3)20(18)14-17(15)21-11-7-8-12-23-21/h4-14H,1H2,2-3H3
InChIKeyOESDRPOBVMUALV-UHFFFAOYSA-N
XLogP5.70
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine?
The IUPAC name of 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine (CID 129095490) is 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine.
What is the SMILES notation for 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine?
The canonical SMILES for 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine is C=Cc1cc2c(cc1-c1ccccn1)C(C)(C)c1ccccc1-2.
What is the InChIKey of 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine?
The InChIKey is OESDRPOBVMUALV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-4-15-13-18-16-9-5-6-10-19(16)22(2,3)20(18)14-17(15)21-11-7-8-12-23-21/h4-14H,1H2,2-3H3.
What are the key properties of 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine?
2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine has a molecular weight of 297.40 g/mol, XLogP of 5.70, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethenyl-9,9-dimethylfluoren-2-yl)pyridine is sourced from PubChem (CID 129095490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).