2,5-dinaphthylpyrrolidine

C24H21N — CID 77233148

IUPAC2,5-dinaphthalen-1-ylpyrrolidine
SMILESc1ccc2c(C3CCC(c4cccc5ccccc45)N3)cccc2c1
InChIInChI=1S/C24H21N/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24(25-23)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-25H,15-16H2
InChIKeyABROITPNFFKGAS-UHFFFAOYSA-N
MW323.44 g/mol
LogP6.16
Rot. Bonds2

About 2,5-dinaphthylpyrrolidine

2,5-dinaphthylpyrrolidine (PubChem CID 77233148) has the molecular formula C24H21N and a molecular weight of 323.44 g/mol. Its IUPAC name is 2,5-dinaphthalen-1-ylpyrrolidine.

Molecular Properties

Compound Name2,5-dinaphthylpyrrolidine
PubChem CID77233148
Molecular FormulaC24H21N
Molecular Weight323.44 g/mol
Exact Mass323.17
IUPAC Name2,5-dinaphthalen-1-ylpyrrolidine
SMILESc1ccc2c(C3CCC(c4cccc5ccccc45)N3)cccc2c1
InChIInChI=1S/C24H21N/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24(25-23)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-25H,15-16H2
InChIKeyABROITPNFFKGAS-UHFFFAOYSA-N
XLogP6.16
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.44
LogP ≤ 56.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,5-dinaphthylpyrrolidine?
The IUPAC name of 2,5-dinaphthylpyrrolidine (CID 77233148) is 2,5-dinaphthalen-1-ylpyrrolidine.
What is the SMILES notation for 2,5-dinaphthylpyrrolidine?
The canonical SMILES for 2,5-dinaphthylpyrrolidine is c1ccc2c(C3CCC(c4cccc5ccccc45)N3)cccc2c1.
What is the InChIKey of 2,5-dinaphthylpyrrolidine?
The InChIKey is ABROITPNFFKGAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N/c1-3-11-19-17(7-1)9-5-13-21(19)23-15-16-24(25-23)22-14-6-10-18-8-2-4-12-20(18)22/h1-14,23-25H,15-16H2.
What are the key properties of 2,5-dinaphthylpyrrolidine?
2,5-dinaphthylpyrrolidine has a molecular weight of 323.44 g/mol, XLogP of 6.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dinaphthylpyrrolidine is sourced from PubChem (CID 77233148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).