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

C26H24N2O4 — CID 171357100

IUPAC[4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2cccc(N)c2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O4/c1-30-23-13-18(14-24(31-2)26(23)32-3)25(29)22-16-28(20-10-5-4-6-11-20)15-21(22)17-8-7-9-19(27)12-17/h4-16H,27H2,1-3H3
InChIKeyWYJQDQPWWQEVAI-UHFFFAOYSA-N
MW428.49 g/mol
LogP4.98
Rot. Bonds7

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

[4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 171357100) has the molecular formula C26H24N2O4 and a molecular weight of 428.49 g/mol. Its IUPAC name is [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID171357100
Molecular FormulaC26H24N2O4
Molecular Weight428.49 g/mol
Exact Mass428.17
IUPAC Name[4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2cccc(N)c2)cc(OC)c1OC
InChIInChI=1S/C26H24N2O4/c1-30-23-13-18(14-24(31-2)26(23)32-3)25(29)22-16-28(20-10-5-4-6-11-20)15-21(22)17-8-7-9-19(27)12-17/h4-16H,27H2,1-3H3
InChIKeyWYJQDQPWWQEVAI-UHFFFAOYSA-N
XLogP4.98
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[4-(3-aminophenyl)-1-(4-fluorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155558998
[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-(4-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171357621
[1-(3-aminophenyl)-4-(2-fluorophenyl)pyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155517479
[4-(4-chlorophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155565588
[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
[4-(3-aminophenyl)-1-propan-2-ylpyrrol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 171779578
(3-phenylphenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 53364048
[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 [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 171357100) is [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2cccc(N)c2)cc(OC)c1OC.
What is the InChIKey of [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is WYJQDQPWWQEVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O4/c1-30-23-13-18(14-24(31-2)26(23)32-3)25(29)22-16-28(20-10-5-4-6-11-20)15-21(22)17-8-7-9-19(27)12-17/h4-16H,27H2,1-3H3.
What are the key properties of [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone has a molecular weight of 428.49 g/mol, XLogP of 4.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-aminophenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 171357100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).