2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole

C32H23FN2 — CID 86230988

IUPAC2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole
SMILESFc1ccc(-n2c(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C32H23FN2/c33-26-16-18-28(19-17-26)35-30(25-12-6-2-7-13-25)21-23-32(35)31-22-20-29(24-10-4-1-5-11-24)34(31)27-14-8-3-9-15-27/h1-23H
InChIKeyCRMJNQQJOTWULX-UHFFFAOYSA-N
MW454.55 g/mol
LogP8.41
Rot. Bonds5

About 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole

2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole (PubChem CID 86230988) has the molecular formula C32H23FN2 and a molecular weight of 454.55 g/mol. Its IUPAC name is 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole.

Molecular Properties

Compound Name2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole
PubChem CID86230988
Molecular FormulaC32H23FN2
Molecular Weight454.55 g/mol
Exact Mass454.18
IUPAC Name2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole
SMILESFc1ccc(-n2c(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C32H23FN2/c33-26-16-18-28(19-17-26)35-30(25-12-6-2-7-13-25)21-23-32(35)31-22-20-29(24-10-4-1-5-11-24)34(31)27-14-8-3-9-15-27/h1-23H
InChIKeyCRMJNQQJOTWULX-UHFFFAOYSA-N
XLogP8.41
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.55
LogP ≤ 58.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole?
The IUPAC name of 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole (CID 86230988) is 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole.
What is the SMILES notation for 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole?
The canonical SMILES for 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole is Fc1ccc(-n2c(-c3ccccc3)ccc2-c2ccc(-c3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole?
The InChIKey is CRMJNQQJOTWULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23FN2/c33-26-16-18-28(19-17-26)35-30(25-12-6-2-7-13-25)21-23-32(35)31-22-20-29(24-10-4-1-5-11-24)34(31)27-14-8-3-9-15-27/h1-23H.
What are the key properties of 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole?
2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole has a molecular weight of 454.55 g/mol, XLogP of 8.41, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,5-diphenylpyrrol-2-yl)-1-(4-fluorophenyl)-5-phenylpyrrole is sourced from PubChem (CID 86230988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).