2,3,5-triphenyl-3,4-dihydro-2H-pyrrole

C22H19N — CID 23596444

IUPAC2,3,5-triphenyl-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H19N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15,20,22H,16H2
InChIKeyWYUSHFMNJMAKSV-UHFFFAOYSA-N
MW297.40 g/mol
LogP5.40
Rot. Bonds3

About 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole

2,3,5-triphenyl-3,4-dihydro-2H-pyrrole (PubChem CID 23596444) has the molecular formula C22H19N and a molecular weight of 297.40 g/mol. Its IUPAC name is 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name2,3,5-triphenyl-3,4-dihydro-2H-pyrrole
PubChem CID23596444
Molecular FormulaC22H19N
Molecular Weight297.40 g/mol
Exact Mass297.15
IUPAC Name2,3,5-triphenyl-3,4-dihydro-2H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H19N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15,20,22H,16H2
InChIKeyWYUSHFMNJMAKSV-UHFFFAOYSA-N
XLogP5.40
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.40
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole (CID 23596444) is 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole is c1ccc(C2=NC(c3ccccc3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole?
The InChIKey is WYUSHFMNJMAKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N/c1-4-10-17(11-5-1)20-16-21(18-12-6-2-7-13-18)23-22(20)19-14-8-3-9-15-19/h1-15,20,22H,16H2.
What are the key properties of 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole?
2,3,5-triphenyl-3,4-dihydro-2H-pyrrole has a molecular weight of 297.40 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-triphenyl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 23596444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).