5-chloro-2-trityl-2H-pyrrole

C23H18ClN — CID 135122280

IUPAC5-chloro-2-trityl-2H-pyrrole
SMILESClC1=NC(C(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C23H18ClN/c24-22-17-16-21(25-22)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21H
InChIKeyYQEJTYGCWRZNSZ-UHFFFAOYSA-N
MW343.86 g/mol
LogP5.60
Rot. Bonds4

About 5-chloro-2-trityl-2H-pyrrole

5-chloro-2-trityl-2H-pyrrole (PubChem CID 135122280) has the molecular formula C23H18ClN and a molecular weight of 343.86 g/mol. Its IUPAC name is 5-chloro-2-trityl-2H-pyrrole.

Molecular Properties

Compound Name5-chloro-2-trityl-2H-pyrrole
PubChem CID135122280
Molecular FormulaC23H18ClN
Molecular Weight343.86 g/mol
Exact Mass343.11
IUPAC Name5-chloro-2-trityl-2H-pyrrole
SMILESClC1=NC(C(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1
InChIInChI=1S/C23H18ClN/c24-22-17-16-21(25-22)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21H
InChIKeyYQEJTYGCWRZNSZ-UHFFFAOYSA-N
XLogP5.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.86
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-trityl-2H-pyrrole?
The IUPAC name of 5-chloro-2-trityl-2H-pyrrole (CID 135122280) is 5-chloro-2-trityl-2H-pyrrole.
What is the SMILES notation for 5-chloro-2-trityl-2H-pyrrole?
The canonical SMILES for 5-chloro-2-trityl-2H-pyrrole is ClC1=NC(C(c2ccccc2)(c2ccccc2)c2ccccc2)C=C1.
What is the InChIKey of 5-chloro-2-trityl-2H-pyrrole?
The InChIKey is YQEJTYGCWRZNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18ClN/c24-22-17-16-21(25-22)23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)20-14-8-3-9-15-20/h1-17,21H.
What are the key properties of 5-chloro-2-trityl-2H-pyrrole?
5-chloro-2-trityl-2H-pyrrole has a molecular weight of 343.86 g/mol, XLogP of 5.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-trityl-2H-pyrrole is sourced from PubChem (CID 135122280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).