2,5-dimethyl-1,3-diphenylpyrrole

C18H17N — CID 14068042

IUPAC2,5-dimethyl-1,3-diphenylpyrrole
SMILESCc1cc(-c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H17N/c1-14-13-18(16-9-5-3-6-10-16)15(2)19(14)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyRKRDSADIVAXQAH-UHFFFAOYSA-N
MW247.34 g/mol
LogP4.76
Rot. Bonds2

About 2,5-dimethyl-1,3-diphenylpyrrole

2,5-dimethyl-1,3-diphenylpyrrole (PubChem CID 14068042) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-diphenylpyrrole.

Molecular Properties

Compound Name2,5-dimethyl-1,3-diphenylpyrrole
PubChem CID14068042
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name2,5-dimethyl-1,3-diphenylpyrrole
SMILESCc1cc(-c2ccccc2)c(C)n1-c1ccccc1
InChIInChI=1S/C18H17N/c1-14-13-18(16-9-5-3-6-10-16)15(2)19(14)17-11-7-4-8-12-17/h3-13H,1-2H3
InChIKeyRKRDSADIVAXQAH-UHFFFAOYSA-N
XLogP4.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2,5-dimethyl-1,3-diphenylpyrrole?
The IUPAC name of 2,5-dimethyl-1,3-diphenylpyrrole (CID 14068042) is 2,5-dimethyl-1,3-diphenylpyrrole.
What is the SMILES notation for 2,5-dimethyl-1,3-diphenylpyrrole?
The canonical SMILES for 2,5-dimethyl-1,3-diphenylpyrrole is Cc1cc(-c2ccccc2)c(C)n1-c1ccccc1.
What is the InChIKey of 2,5-dimethyl-1,3-diphenylpyrrole?
The InChIKey is RKRDSADIVAXQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N/c1-14-13-18(16-9-5-3-6-10-16)15(2)19(14)17-11-7-4-8-12-17/h3-13H,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-diphenylpyrrole?
2,5-dimethyl-1,3-diphenylpyrrole has a molecular weight of 247.34 g/mol, XLogP of 4.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-diphenylpyrrole is sourced from PubChem (CID 14068042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).