1-(4-benzhydrylphenyl)pyrrole

C23H19N — CID 155934324

IUPAC1-(4-benzhydrylphenyl)pyrrole
SMILESc1ccc(C(c2ccccc2)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C23H19N/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)21-13-15-22(16-14-21)24-17-7-8-18-24/h1-18,23H
InChIKeyPOLACRVFXGSOSX-UHFFFAOYSA-N
MW309.41 g/mol
LogP5.66
Rot. Bonds4

About 1-(4-benzhydrylphenyl)pyrrole

1-(4-benzhydrylphenyl)pyrrole (PubChem CID 155934324) has the molecular formula C23H19N and a molecular weight of 309.41 g/mol. Its IUPAC name is 1-(4-benzhydrylphenyl)pyrrole.

Molecular Properties

Compound Name1-(4-benzhydrylphenyl)pyrrole
PubChem CID155934324
Molecular FormulaC23H19N
Molecular Weight309.41 g/mol
Exact Mass309.15
IUPAC Name1-(4-benzhydrylphenyl)pyrrole
SMILESc1ccc(C(c2ccccc2)c2ccc(-n3cccc3)cc2)cc1
InChIInChI=1S/C23H19N/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)21-13-15-22(16-14-21)24-17-7-8-18-24/h1-18,23H
InChIKeyPOLACRVFXGSOSX-UHFFFAOYSA-N
XLogP5.66
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.41
LogP ≤ 55.66
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 1-(4-benzhydrylphenyl)pyrrole?
The IUPAC name of 1-(4-benzhydrylphenyl)pyrrole (CID 155934324) is 1-(4-benzhydrylphenyl)pyrrole.
What is the SMILES notation for 1-(4-benzhydrylphenyl)pyrrole?
The canonical SMILES for 1-(4-benzhydrylphenyl)pyrrole is c1ccc(C(c2ccccc2)c2ccc(-n3cccc3)cc2)cc1.
What is the InChIKey of 1-(4-benzhydrylphenyl)pyrrole?
The InChIKey is POLACRVFXGSOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N/c1-3-9-19(10-4-1)23(20-11-5-2-6-12-20)21-13-15-22(16-14-21)24-17-7-8-18-24/h1-18,23H.
What are the key properties of 1-(4-benzhydrylphenyl)pyrrole?
1-(4-benzhydrylphenyl)pyrrole has a molecular weight of 309.41 g/mol, XLogP of 5.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-benzhydrylphenyl)pyrrole is sourced from PubChem (CID 155934324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).