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

C26H22ClNO4 — CID 155565588

IUPAC[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C26H22ClNO4/c1-30-23-13-18(14-24(31-2)26(23)32-3)25(29)22-16-28(20-7-5-4-6-8-20)15-21(22)17-9-11-19(27)12-10-17/h4-16H,1-3H3
InChIKeyJCFULIFAGPPFFX-UHFFFAOYSA-N
MW447.92 g/mol
LogP6.05
Rot. Bonds7

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

[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155565588) has the molecular formula C26H22ClNO4 and a molecular weight of 447.92 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155565588
Molecular FormulaC26H22ClNO4
Molecular Weight447.92 g/mol
Exact Mass447.12
IUPAC Name[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccc(Cl)cc2)cc(OC)c1OC
InChIInChI=1S/C26H22ClNO4/c1-30-23-13-18(14-24(31-2)26(23)32-3)25(29)22-16-28(20-7-5-4-6-8-20)15-21(22)17-9-11-19(27)12-10-17/h4-16H,1-3H3
InChIKeyJCFULIFAGPPFFX-UHFFFAOYSA-N
XLogP6.05
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.92
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
[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-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357100
[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155550802
[1-(2-fluorophenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171355925
[1-(3-methylphenyl)-4-pyridin-4-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 164611339
[1-(3-aminophenyl)-4-(2-fluorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155517479
[1-(4-chlorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708621
[4-(3-aminophenyl)-1-(4-fluorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155558998
[4-(furan-2-yl)-1-pyrimidin-5-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171343056
[4-(4-chlorophenyl)-1-ethylpyrrol-3-yl]-phenylmethanone
CID 11289849

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 155565588) is [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccc(Cl)cc2)cc(OC)c1OC.
What is the InChIKey of [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is JCFULIFAGPPFFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClNO4/c1-30-23-13-18(14-24(31-2)26(23)32-3)25(29)22-16-28(20-7-5-4-6-8-20)15-21(22)17-9-11-19(27)12-10-17/h4-16H,1-3H3.
What are the key properties of [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 447.92 g/mol, XLogP of 6.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155565588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).