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

C22H17N — CID 143156770

IUPAC2,4,5-triphenyl-3H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H17N/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/h1-15H,16H2
InChIKeyGJNQZMMYZCESGJ-UHFFFAOYSA-N
MW295.39 g/mol
LogP5.45
Rot. Bonds3

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

2,4,5-triphenyl-3H-pyrrole (PubChem CID 143156770) has the molecular formula C22H17N and a molecular weight of 295.39 g/mol. Its IUPAC name is 2,4,5-triphenyl-3H-pyrrole.

Molecular Properties

Compound Name2,4,5-triphenyl-3H-pyrrole
PubChem CID143156770
Molecular FormulaC22H17N
Molecular Weight295.39 g/mol
Exact Mass295.14
IUPAC Name2,4,5-triphenyl-3H-pyrrole
SMILESc1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2)cc1
InChIInChI=1S/C22H17N/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/h1-15H,16H2
InChIKeyGJNQZMMYZCESGJ-UHFFFAOYSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.39
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-pyridin-2-one
CID 148508782
2-chloro-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
CID 149359278
4-fluoro-6-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)-1H-indazol-3-amine
CID 162041288
2,3-dimethyl-5,7-diphenyl-6H-1,4-diazepine
CID 71375212
2-ethylsulfanyl-5-(2-phenyl-5-pyridin-4-yl-3H-pyrrol-4-yl)benzoic acid
CID 147998284
[4-[5-(4-fluorophenyl)-4-pyridin-4-yl-3H-pyrrol-2-yl]phenyl]-dimethylsulfanium
CID 160716030
2-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine
CID 158954454
5-(chloromethyl)-4-phenyl-2-[4-(trifluoromethyl)phenyl]-3H-pyrrole
CID 159221024
benzene;ethane;2-phenyl-3H-indole
CID 91573421
tris(4-[5-(4-fluorophenyl)-2-(4-methylphenyl)-3H-pyrrol-4-yl]pyridine);4-[2-[4-(2-methylpropyl)phenyl]-5-phenyl-3H-pyrrol-4-yl]pyridine;5-[2-[4-(2-methylpropyl)phenyl]-4-pyridin-4-yl-3H-pyrrol-5-yl]-2,1,3-benzoxadiazole
CID 159820079
6-methyl-2-phenyl-3,4-dihydropyrrolo[2,3-c]pyridine-5,7-dione
CID 157282326
ethyl 4-oxo-2,6-diphenyl-3H-pyridine-5-carboxylate
CID 70373640

Frequently Asked Questions

What is the IUPAC name of 2,4,5-triphenyl-3H-pyrrole?
The IUPAC name of 2,4,5-triphenyl-3H-pyrrole (CID 143156770) is 2,4,5-triphenyl-3H-pyrrole.
What is the SMILES notation for 2,4,5-triphenyl-3H-pyrrole?
The canonical SMILES for 2,4,5-triphenyl-3H-pyrrole is c1ccc(C2=NC(c3ccccc3)=C(c3ccccc3)C2)cc1.
What is the InChIKey of 2,4,5-triphenyl-3H-pyrrole?
The InChIKey is GJNQZMMYZCESGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N/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/h1-15H,16H2.
What are the key properties of 2,4,5-triphenyl-3H-pyrrole?
2,4,5-triphenyl-3H-pyrrole has a molecular weight of 295.39 g/mol, XLogP of 5.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-triphenyl-3H-pyrrole is sourced from PubChem (CID 143156770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).