(2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole

C24H19N — CID 101497123

IUPAC(2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole
SMILESC1=C[C@@H](c2ccc3ccccc3c2)N[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C24H19N/c1-3-7-19-15-21(11-9-17(19)5-1)23-13-14-24(25-23)22-12-10-18-6-2-4-8-20(18)16-22/h1-16,23-25H/t23-,24-/m0/s1
InChIKeyLOLNFZODISPNDB-ZEQRLZLVSA-N
MW321.42 g/mol
LogP5.93
Rot. Bonds2

About (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole

(2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole (PubChem CID 101497123) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole.

Molecular Properties

Compound Name(2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole
PubChem CID101497123
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name(2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole
SMILESC1=C[C@@H](c2ccc3ccccc3c2)N[C@@H]1c1ccc2ccccc2c1
InChIInChI=1S/C24H19N/c1-3-7-19-15-21(11-9-17(19)5-1)23-13-14-24(25-23)22-12-10-18-6-2-4-8-20(18)16-22/h1-16,23-25H/t23-,24-/m0/s1
InChIKeyLOLNFZODISPNDB-ZEQRLZLVSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole?
The IUPAC name of (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole (CID 101497123) is (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole.
What is the SMILES notation for (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole?
The canonical SMILES for (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole is C1=C[C@@H](c2ccc3ccccc3c2)N[C@@H]1c1ccc2ccccc2c1.
What is the InChIKey of (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole?
The InChIKey is LOLNFZODISPNDB-ZEQRLZLVSA-N. The full InChI is InChI=1S/C24H19N/c1-3-7-19-15-21(11-9-17(19)5-1)23-13-14-24(25-23)22-12-10-18-6-2-4-8-20(18)16-22/h1-16,23-25H/t23-,24-/m0/s1.
What are the key properties of (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole?
(2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole has a molecular weight of 321.42 g/mol, XLogP of 5.93, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dinaphthalen-2-yl-2,5-dihydro-1H-pyrrole is sourced from PubChem (CID 101497123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).