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

C29H23N — CID 11851226

IUPAC3-(4-methylphenyl)-1,2,5-triphenylpyrrole
SMILESCc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H23N/c1-22-17-19-23(20-18-22)27-21-28(24-11-5-2-6-12-24)30(26-15-9-4-10-16-26)29(27)25-13-7-3-8-14-25/h2-21H,1H3
InChIKeyBXMXGZLNDVMNCA-UHFFFAOYSA-N
MW385.51 g/mol
LogP7.79
Rot. Bonds4

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

3-(4-methylphenyl)-1,2,5-triphenylpyrrole (PubChem CID 11851226) has the molecular formula C29H23N and a molecular weight of 385.51 g/mol. Its IUPAC name is 3-(4-methylphenyl)-1,2,5-triphenylpyrrole.

Molecular Properties

Compound Name3-(4-methylphenyl)-1,2,5-triphenylpyrrole
PubChem CID11851226
Molecular FormulaC29H23N
Molecular Weight385.51 g/mol
Exact Mass385.18
IUPAC Name3-(4-methylphenyl)-1,2,5-triphenylpyrrole
SMILESCc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1
InChIInChI=1S/C29H23N/c1-22-17-19-23(20-18-22)27-21-28(24-11-5-2-6-12-24)30(26-15-9-4-10-16-26)29(27)25-13-7-3-8-14-25/h2-21H,1H3
InChIKeyBXMXGZLNDVMNCA-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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Related Compounds

2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
CID 134948015
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
2,5-bis(4-methylphenyl)-1,3,4-triphenylpyrrole
CID 166512378
3-(4-methylphenyl)-6,9-diphenylcarbazole
CID 90290564
1-(4-methylphenyl)-3-octyl-2,5-diphenylpyrrole
CID 23497978
1,3-bis(4-methylphenyl)-4,5-diphenylimidazole-2-thione
CID 12674926
4-methyl-3-(4-methylphenyl)-1-phenyl-4H-pyrrolo[1,2-a]indole
CID 139236545
2-(4-fluorophenyl)-3-methyl-1,6-diphenylpyridin-4-one
CID 14303719
4-[2-ethyl-1-(4-hydroxyphenyl)-5-phenylpyrrol-3-yl]phenol
CID 11132007

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)-1,2,5-triphenylpyrrole?
The IUPAC name of 3-(4-methylphenyl)-1,2,5-triphenylpyrrole (CID 11851226) is 3-(4-methylphenyl)-1,2,5-triphenylpyrrole.
What is the SMILES notation for 3-(4-methylphenyl)-1,2,5-triphenylpyrrole?
The canonical SMILES for 3-(4-methylphenyl)-1,2,5-triphenylpyrrole is Cc1ccc(-c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-1,2,5-triphenylpyrrole?
The InChIKey is BXMXGZLNDVMNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N/c1-22-17-19-23(20-18-22)27-21-28(24-11-5-2-6-12-24)30(26-15-9-4-10-16-26)29(27)25-13-7-3-8-14-25/h2-21H,1H3.
What are the key properties of 3-(4-methylphenyl)-1,2,5-triphenylpyrrole?
3-(4-methylphenyl)-1,2,5-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 3-(4-methylphenyl)-1,2,5-triphenylpyrrole is sourced from PubChem (CID 11851226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).