2,3,4-triphenyl-1H-pyrrole;hydrochloride

C22H18ClN — CID 172844821

IUPAC2,3,4-triphenyl-1H-pyrrole;hydrochloride
SMILESCl.c1ccc(-c2c[nH]c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N.ClH/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18;/h1-16,23H;1H
InChIKeyXGUCDMGVJKFOES-UHFFFAOYSA-N
MW331.85 g/mol
LogP6.44
Rot. Bonds3

About 2,3,4-triphenyl-1H-pyrrole;hydrochloride

2,3,4-triphenyl-1H-pyrrole;hydrochloride (PubChem CID 172844821) has the molecular formula C22H18ClN and a molecular weight of 331.85 g/mol. Its IUPAC name is 2,3,4-triphenyl-1H-pyrrole;hydrochloride.

Molecular Properties

Compound Name2,3,4-triphenyl-1H-pyrrole;hydrochloride
PubChem CID172844821
Molecular FormulaC22H18ClN
Molecular Weight331.85 g/mol
Exact Mass331.11
IUPAC Name2,3,4-triphenyl-1H-pyrrole;hydrochloride
SMILESCl.c1ccc(-c2c[nH]c(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C22H17N.ClH/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18;/h1-16,23H;1H
InChIKeyXGUCDMGVJKFOES-UHFFFAOYSA-N
XLogP6.44
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.85
LogP ≤ 56.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

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CID 67652
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CID 16193304
4-(2-(4-fluorophenyl)-5-(1-methylpiperidine-4-yl)-1H-pyrrol-3-yl)pyridine
CID 500899
N,N,7-Trimethyl-1H-indole-3-ethanamine
CID 47747
2-(1H-indol-3-yl)-2-phenylethan-1-amine
CID 609935
2-[2,2-bis(1H-indol-3-yl)ethyl]aniline
CID 236191
3-(1-Benzyl-1,2,3,6-tetrahydropyridin-4-yl)-1H-indole
CID 6618861
3-Benzyl-1H-indole
CID 231168
3-((4-benzylpiperazino)methyl)-1H-indole
CID 563075
2-Phenylpyrrole
CID 72898
(3-Triphenylmethylaminomethyl)pyridine
CID 24868317

Frequently Asked Questions

What is the IUPAC name of 2,3,4-triphenyl-1H-pyrrole;hydrochloride?
The IUPAC name of 2,3,4-triphenyl-1H-pyrrole;hydrochloride (CID 172844821) is 2,3,4-triphenyl-1H-pyrrole;hydrochloride.
What is the SMILES notation for 2,3,4-triphenyl-1H-pyrrole;hydrochloride?
The canonical SMILES for 2,3,4-triphenyl-1H-pyrrole;hydrochloride is Cl.c1ccc(-c2c[nH]c(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 2,3,4-triphenyl-1H-pyrrole;hydrochloride?
The InChIKey is XGUCDMGVJKFOES-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N.ClH/c1-4-10-17(11-5-1)20-16-23-22(19-14-8-3-9-15-19)21(20)18-12-6-2-7-13-18;/h1-16,23H;1H.
What are the key properties of 2,3,4-triphenyl-1H-pyrrole;hydrochloride?
2,3,4-triphenyl-1H-pyrrole;hydrochloride has a molecular weight of 331.85 g/mol, XLogP of 6.44, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-triphenyl-1H-pyrrole;hydrochloride is sourced from PubChem (CID 172844821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).