1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole

C24H27N3 — CID 23399439

IUPAC1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cc(-n2c(C)ccc2C)cc(-n2c(C)ccc2C)c1
InChIInChI=1S/C24H27N3/c1-16-7-8-17(2)25(16)22-13-23(26-18(3)9-10-19(26)4)15-24(14-22)27-20(5)11-12-21(27)6/h7-15H,1-6H3
InChIKeyVXYOAFMYCZVDSP-UHFFFAOYSA-N
MW357.50 g/mol
LogP5.91
Rot. Bonds3

About 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole

1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole (PubChem CID 23399439) has the molecular formula C24H27N3 and a molecular weight of 357.50 g/mol. Its IUPAC name is 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole
PubChem CID23399439
Molecular FormulaC24H27N3
Molecular Weight357.50 g/mol
Exact Mass357.22
IUPAC Name1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cc(-n2c(C)ccc2C)cc(-n2c(C)ccc2C)c1
InChIInChI=1S/C24H27N3/c1-16-7-8-17(2)25(16)22-13-23(26-18(3)9-10-19(26)4)15-24(14-22)27-20(5)11-12-21(27)6/h7-15H,1-6H3
InChIKeyVXYOAFMYCZVDSP-UHFFFAOYSA-N
XLogP5.91
TPSA14.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.50
LogP ≤ 55.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole (CID 23399439) is 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1cc(-n2c(C)ccc2C)cc(-n2c(C)ccc2C)c1.
What is the InChIKey of 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole?
The InChIKey is VXYOAFMYCZVDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3/c1-16-7-8-17(2)25(16)22-13-23(26-18(3)9-10-19(26)4)15-24(14-22)27-20(5)11-12-21(27)6/h7-15H,1-6H3.
What are the key properties of 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole?
1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole has a molecular weight of 357.50 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(2,5-dimethylpyrrol-1-yl)phenyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 23399439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).