3-(4-methoxyphenyl)-1,4-diphenylpyrrole

C23H19NO — CID 102125603

IUPAC3-(4-methoxyphenyl)-1,4-diphenylpyrrole
SMILESCOc1ccc(-c2cn(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO/c1-25-21-14-12-19(13-15-21)23-17-24(20-10-6-3-7-11-20)16-22(23)18-8-4-2-5-9-18/h2-17H,1H3
InChIKeyWNQQARSZYWBPGK-UHFFFAOYSA-N
MW325.41 g/mol
LogP5.82
Rot. Bonds4

About 3-(4-methoxyphenyl)-1,4-diphenylpyrrole

3-(4-methoxyphenyl)-1,4-diphenylpyrrole (PubChem CID 102125603) has the molecular formula C23H19NO and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,4-diphenylpyrrole.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,4-diphenylpyrrole
PubChem CID102125603
Molecular FormulaC23H19NO
Molecular Weight325.41 g/mol
Exact Mass325.15
IUPAC Name3-(4-methoxyphenyl)-1,4-diphenylpyrrole
SMILESCOc1ccc(-c2cn(-c3ccccc3)cc2-c2ccccc2)cc1
InChIInChI=1S/C23H19NO/c1-25-21-14-12-19(13-15-21)23-17-24(20-10-6-3-7-11-20)16-22(23)18-8-4-2-5-9-18/h2-17H,1H3
InChIKeyWNQQARSZYWBPGK-UHFFFAOYSA-N
XLogP5.82
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.41
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-4-phenylbenzene;methyloxidanium
CID 144616924
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
1-methoxy-4-phenylbenzene cyanide
CID 159561637
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
3-methoxy-1-phenylpyrrole
CID 5324681
methane;1-methoxy-4-methylbenzene;1-methyl-4-phenylbenzene
CID 160612603
3-(4-methoxyphenyl)-1,4-diphenylimidazol-2-one
CID 1226931
2-(4-methoxyphenyl)-1-(4-methylphenyl)-3,5-diphenylpyrrole
CID 12995302
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
sulfanium;fluoroform;1-methoxy-4-(4-phenylphenyl)benzene
CID 162208171
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155522430

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,4-diphenylpyrrole?
The IUPAC name of 3-(4-methoxyphenyl)-1,4-diphenylpyrrole (CID 102125603) is 3-(4-methoxyphenyl)-1,4-diphenylpyrrole.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,4-diphenylpyrrole?
The canonical SMILES for 3-(4-methoxyphenyl)-1,4-diphenylpyrrole is COc1ccc(-c2cn(-c3ccccc3)cc2-c2ccccc2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,4-diphenylpyrrole?
The InChIKey is WNQQARSZYWBPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO/c1-25-21-14-12-19(13-15-21)23-17-24(20-10-6-3-7-11-20)16-22(23)18-8-4-2-5-9-18/h2-17H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,4-diphenylpyrrole?
3-(4-methoxyphenyl)-1,4-diphenylpyrrole has a molecular weight of 325.41 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,4-diphenylpyrrole is sourced from PubChem (CID 102125603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).