3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole

C23H18FN — CID 10336563

IUPAC3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN/c1-16-21(18-12-14-20(24)15-13-18)22(17-8-4-2-5-9-17)23(25-16)19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKeyBDKNDDSGTVDZLX-UHFFFAOYSA-N
MW327.40 g/mol
LogP6.46
Rot. Bonds3

About 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole

3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole (PubChem CID 10336563) has the molecular formula C23H18FN and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole
PubChem CID10336563
Molecular FormulaC23H18FN
Molecular Weight327.40 g/mol
Exact Mass327.14
IUPAC Name3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole
SMILESCc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(F)cc1
InChIInChI=1S/C23H18FN/c1-16-21(18-12-14-20(24)15-13-18)22(17-8-4-2-5-9-17)23(25-16)19-10-6-3-7-11-19/h2-15,25H,1H3
InChIKeyBDKNDDSGTVDZLX-UHFFFAOYSA-N
XLogP6.46
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.40
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole?
The IUPAC name of 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole (CID 10336563) is 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole.
What is the SMILES notation for 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole?
The canonical SMILES for 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole is Cc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccc(F)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole?
The InChIKey is BDKNDDSGTVDZLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN/c1-16-21(18-12-14-20(24)15-13-18)22(17-8-4-2-5-9-17)23(25-16)19-10-6-3-7-11-19/h2-15,25H,1H3.
What are the key properties of 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole?
3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole has a molecular weight of 327.40 g/mol, XLogP of 6.46, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-methyl-4,5-diphenyl-1H-pyrrole is sourced from PubChem (CID 10336563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).