2-(4-methylphenyl)-1,3,5-triphenylpyrrole

C29H23N — CID 6710391

IUPAC2-(4-methylphenyl)-1,3,5-triphenylpyrrole
SMILESCc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C29H23N/c1-22-17-19-25(20-18-22)29-27(23-11-5-2-6-12-23)21-28(24-13-7-3-8-14-24)30(29)26-15-9-4-10-16-26/h2-21H,1H3
InChIKeyCFQREMOTAFZGKI-UHFFFAOYSA-N
MW385.51 g/mol
LogP7.79
Rot. Bonds4

About 2-(4-methylphenyl)-1,3,5-triphenylpyrrole

2-(4-methylphenyl)-1,3,5-triphenylpyrrole (PubChem CID 6710391) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,3,5-triphenylpyrrole.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,3,5-triphenylpyrrole
PubChem CID6710391
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name2-(4-methylphenyl)-1,3,5-triphenylpyrrole
SMILESCc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C29H23N/c1-22-17-19-25(20-18-22)29-27(23-11-5-2-6-12-23)21-28(24-13-7-3-8-14-24)30(29)26-15-9-4-10-16-26/h2-21H,1H3
InChIKeyCFQREMOTAFZGKI-UHFFFAOYSA-N
XLogP7.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.51
LogP ≤ 57.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,3,5-triphenylpyrrole?
The IUPAC name of 2-(4-methylphenyl)-1,3,5-triphenylpyrrole (CID 6710391) is 2-(4-methylphenyl)-1,3,5-triphenylpyrrole.
What is the SMILES notation for 2-(4-methylphenyl)-1,3,5-triphenylpyrrole?
The canonical SMILES for 2-(4-methylphenyl)-1,3,5-triphenylpyrrole is Cc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,3,5-triphenylpyrrole?
The InChIKey is CFQREMOTAFZGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-22-17-19-25(20-18-22)29-27(23-11-5-2-6-12-23)21-28(24-13-7-3-8-14-24)30(29)26-15-9-4-10-16-26/h2-21H,1H3.
What are the key properties of 2-(4-methylphenyl)-1,3,5-triphenylpyrrole?
2-(4-methylphenyl)-1,3,5-triphenylpyrrole has a molecular weight of 385.51 g/mol, XLogP of 7.79, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,3,5-triphenylpyrrole is sourced from PubChem (CID 6710391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).