[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C27H25NO4 — CID 171357621

IUPAC[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H25NO4/c1-18-10-12-19(13-11-18)22-16-28(21-8-6-5-7-9-21)17-23(22)26(29)20-14-24(30-2)27(32-4)25(15-20)31-3/h5-17H,1-4H3
InChIKeyOAJJBOSPYHQKGR-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.71
Rot. Bonds7

About [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 171357621) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID171357621
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccc(C)cc2)cc(OC)c1OC
InChIInChI=1S/C27H25NO4/c1-18-10-12-19(13-11-18)22-16-28(21-8-6-5-7-9-21)17-23(22)26(29)20-14-24(30-2)27(32-4)25(15-20)31-3/h5-17H,1-4H3
InChIKeyOAJJBOSPYHQKGR-UHFFFAOYSA-N
XLogP5.71
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.50
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155565588
[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155522430
[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155550802
[4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357100
[1-(3-methylphenyl)-4-pyridin-4-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 164611339
[1-(2-fluorophenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171355925
[4-(3-aminophenyl)-1-(4-fluorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155558998
[1-(3-aminophenyl)-4-(2-fluorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155517479
[4-(furan-2-yl)-1-pyrimidin-5-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171343056
(4-methylphenyl)-(3,4,5-trimethoxy-2-phenylphenyl)methanone
CID 71574701
[4-(4-methylphenyl)-1-thiophen-3-ylpyrrol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171779555

Frequently Asked Questions

What is the IUPAC name of [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 171357621) is [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccc(C)cc2)cc(OC)c1OC.
What is the InChIKey of [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is OAJJBOSPYHQKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-18-10-12-19(13-11-18)22-16-28(21-8-6-5-7-9-21)17-23(22)26(29)20-14-24(30-2)27(32-4)25(15-20)31-3/h5-17H,1-4H3.
What are the key properties of [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 427.50 g/mol, XLogP of 5.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 171357621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).