[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

C27H25NO4 — CID 155550802

IUPAC[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C27H25NO4/c1-18-10-8-9-13-21(18)22-16-28(20-11-6-5-7-12-20)17-23(22)26(29)19-14-24(30-2)27(32-4)25(15-19)31-3/h5-17H,1-4H3
InChIKeyUTNFRDAZNHLQOS-UHFFFAOYSA-N
MW427.50 g/mol
LogP5.71
Rot. Bonds7

About [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone

[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (PubChem CID 155550802) has the molecular formula C27H25NO4 and a molecular weight of 427.50 g/mol. Its IUPAC name is [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
PubChem CID155550802
Molecular FormulaC27H25NO4
Molecular Weight427.50 g/mol
Exact Mass427.18
IUPAC Name[4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccccc2C)cc(OC)c1OC
InChIInChI=1S/C27H25NO4/c1-18-10-8-9-13-21(18)22-16-28(20-11-6-5-7-12-20)17-23(22)26(29)19-14-24(30-2)27(32-4)25(15-19)31-3/h5-17H,1-4H3
InChIKeyUTNFRDAZNHLQOS-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

Analyze [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The IUPAC name of [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone (CID 155550802) is [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The canonical SMILES for [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is COc1cc(C(=O)c2cn(-c3ccccc3)cc2-c2ccccc2C)cc(OC)c1OC.
What is the InChIKey of [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
The InChIKey is UTNFRDAZNHLQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25NO4/c1-18-10-8-9-13-21(18)22-16-28(20-11-6-5-7-12-20)17-23(22)26(29)19-14-24(30-2)27(32-4)25(15-19)31-3/h5-17H,1-4H3.
What are the key properties of [4-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone?
[4-(2-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-(2-methylphenyl)-1-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone is sourced from PubChem (CID 155550802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).