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

C27H25NO5 — CID 155522430

IUPAC[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C27H25NO5/c1-30-21-12-8-11-20(15-21)28-16-22(18-9-6-5-7-10-18)23(17-28)26(29)19-13-24(31-2)27(33-4)25(14-19)32-3/h5-17H,1-4H3
InChIKeyFDYAQIVINGQBOF-UHFFFAOYSA-N
MW443.50 g/mol
LogP5.41
Rot. Bonds8

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

[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155522430) has the molecular formula C27H25NO5 and a molecular weight of 443.50 g/mol. Its IUPAC name is [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155522430
Molecular FormulaC27H25NO5
Molecular Weight443.50 g/mol
Exact Mass443.17
IUPAC Name[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2)c1
InChIInChI=1S/C27H25NO5/c1-30-21-12-8-11-20(15-21)28-16-22(18-9-6-5-7-10-18)23(17-28)26(29)19-13-24(31-2)27(33-4)25(14-19)32-3/h5-17H,1-4H3
InChIKeyFDYAQIVINGQBOF-UHFFFAOYSA-N
XLogP5.41
TPSA58.92 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.50
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-phenyl-1-(3,4,5-trimethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155525980
[4-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
[4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357100
[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155565588
[1-(3-methylphenyl)-4-pyridin-4-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 164611339
[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
[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
(3-methoxyphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 10902719
[1-(3-phenylmethoxyphenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 118708647
[4-(furan-2-yl)-1-pyrimidin-5-ylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171343056

Frequently Asked Questions

What is the IUPAC name of [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 155522430) is [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cccc(-n2cc(C(=O)c3cc(OC)c(OC)c(OC)c3)c(-c3ccccc3)c2)c1.
What is the InChIKey of [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is FDYAQIVINGQBOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO5/c1-30-21-12-8-11-20(15-21)28-16-22(18-9-6-5-7-10-18)23(17-28)26(29)19-13-24(31-2)27(33-4)25(14-19)32-3/h5-17H,1-4H3.
What are the key properties of [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 443.50 g/mol, XLogP of 5.41, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155522430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).