3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole

C25H23NO — CID 10959140

IUPAC3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)n(C)c2-c2ccccc2)cc1
InChIInChI=1S/C25H23NO/c1-18-9-11-20(12-10-18)24-17-23(19-13-15-22(27-3)16-14-19)25(26(24)2)21-7-5-4-6-8-21/h4-17H,1-3H3
InChIKeyPTYXESVRLHUGAO-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.34
Rot. Bonds4

About 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole

3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole (PubChem CID 10959140) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
PubChem CID10959140
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
SMILESCOc1ccc(-c2cc(-c3ccc(C)cc3)n(C)c2-c2ccccc2)cc1
InChIInChI=1S/C25H23NO/c1-18-9-11-20(12-10-18)24-17-23(19-13-15-22(27-3)16-14-19)25(26(24)2)21-7-5-4-6-8-21/h4-17H,1-3H3
InChIKeyPTYXESVRLHUGAO-UHFFFAOYSA-N
XLogP6.34
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
2-(2-chloro-4-methoxyphenyl)-3,5-bis(4-methoxyphenyl)-1-methylpyrrole
CID 71513763
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
bis[2-[4-(4-methoxyphenyl)phenyl]-4-methyl-6-(4-phenylphenyl)phenyl]diazene
CID 102573103
2,5-bis(4-methoxyphenyl)-1-methyl-3-nitropyrrole
CID 10640739
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-butyl-6-(4-methoxyphenyl)-3,4-diphenylpyridin-2-one
CID 102087276
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
7-methoxy-2-methyl-3-phenylisoquinolin-1-one
CID 12931131

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole?
The IUPAC name of 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole (CID 10959140) is 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole?
The canonical SMILES for 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole is COc1ccc(-c2cc(-c3ccc(C)cc3)n(C)c2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole?
The InChIKey is PTYXESVRLHUGAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO/c1-18-9-11-20(12-10-18)24-17-23(19-13-15-22(27-3)16-14-19)25(26(24)2)21-7-5-4-6-8-21/h4-17H,1-3H3.
What are the key properties of 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole?
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole has a molecular weight of 353.47 g/mol, XLogP of 6.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole is sourced from PubChem (CID 10959140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).