2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole

C30H25NO — CID 12995302

IUPAC2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
SMILESCOc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H25NO/c1-22-13-17-26(18-14-22)31-29(24-11-7-4-8-12-24)21-28(23-9-5-3-6-10-23)30(31)25-15-19-27(32-2)20-16-25/h3-21H,1-2H3
InChIKeyLNKHVHLSJCBPEP-UHFFFAOYSA-N
MW415.54 g/mol
LogP7.80
Rot. Bonds5

About 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole

2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole (PubChem CID 12995302) has the molecular formula C30H25NO and a molecular weight of 415.54 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
PubChem CID12995302
Molecular FormulaC30H25NO
Molecular Weight415.54 g/mol
Exact Mass415.19
IUPAC Name2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
SMILESCOc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccc(C)cc2)cc1
InChIInChI=1S/C30H25NO/c1-22-13-17-26(18-14-22)31-29(24-11-7-4-8-12-24)21-28(23-9-5-3-6-10-23)30(31)25-15-19-27(32-2)20-16-25/h3-21H,1-2H3
InChIKeyLNKHVHLSJCBPEP-UHFFFAOYSA-N
XLogP7.80
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 57.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methylphenyl)-1,2,5-triphenylpyrrole
CID 11851226
2-(4-methylphenyl)-1,3,5-triphenylpyrrole
CID 6710391
3-(4-methoxyphenyl)-1-methyl-5-(4-methylphenyl)-2-phenylpyrrole
CID 10959140
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1,2,4-triazole
CID 102231682
3-(4-methoxyphenyl)-4-(4-methylphenyl)-5-phenyl-1H-imidazol-2-one
CID 24786909
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
2-(4-methylphenyl)-1,3-diphenylisoindole
CID 66688273
1,3,5-triphenyl-2-[4-(trifluoromethyl)phenyl]pyrrole
CID 134948015
2-(4-methoxyphenyl)-1-(4-methylphenyl)imidazo[1,2-a]pyridin-4-ium bromide
CID 21178993
1-(4-methoxyphenyl)-3,5-bis(4-methylphenyl)-4-phenylpyrazole
CID 56589754
N-benzyl-5-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)pyrrole-3-carboxamide
CID 7307045
9-(4-tert-butylphenyl)-3-[4-[9-(4-tert-butylphenyl)carbazol-3-yl]-2-(4-methoxyphenyl)-5-(4-methylphenyl)phenyl]carbazole
CID 159778762

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole?
The IUPAC name of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole (CID 12995302) is 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole.
What is the SMILES notation for 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole?
The canonical SMILES for 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole is COc1ccc(-c2c(-c3ccccc3)cc(-c3ccccc3)n2-c2ccc(C)cc2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole?
The InChIKey is LNKHVHLSJCBPEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO/c1-22-13-17-26(18-14-22)31-29(24-11-7-4-8-12-24)21-28(23-9-5-3-6-10-23)30(31)25-15-19-27(32-2)20-16-25/h3-21H,1-2H3.
What are the key properties of 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole?
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole has a molecular weight of 415.54 g/mol, XLogP of 7.80, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole is sourced from PubChem (CID 12995302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).