1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole

C22H22N2 — CID 1207569

IUPAC1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cccc2c(-n3c(C)ccc3C)cccc12
InChIInChI=1S/C22H22N2/c1-15-11-12-16(2)23(15)21-9-5-8-20-19(21)7-6-10-22(20)24-17(3)13-14-18(24)4/h5-14H,1-4H3
InChIKeyOTQAHZUKBIGBMU-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.65
Rot. Bonds2

About 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole

1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole (PubChem CID 1207569) has the molecular formula C22H22N2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole
PubChem CID1207569
Molecular FormulaC22H22N2
Molecular Weight314.43 g/mol
Exact Mass314.18
IUPAC Name1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1-c1cccc2c(-n3c(C)ccc3C)cccc12
InChIInChI=1S/C22H22N2/c1-15-11-12-16(2)23(15)21-9-5-8-20-19(21)7-6-10-22(20)24-17(3)13-14-18(24)4/h5-14H,1-4H3
InChIKeyOTQAHZUKBIGBMU-UHFFFAOYSA-N
XLogP5.65
TPSA9.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole (CID 1207569) is 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole is Cc1ccc(C)n1-c1cccc2c(-n3c(C)ccc3C)cccc12.
What is the InChIKey of 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole?
The InChIKey is OTQAHZUKBIGBMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2/c1-15-11-12-16(2)23(15)21-9-5-8-20-19(21)7-6-10-22(20)24-17(3)13-14-18(24)4/h5-14H,1-4H3.
What are the key properties of 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole?
1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole has a molecular weight of 314.43 g/mol, XLogP of 5.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,5-dimethylpyrrol-1-yl)naphthalen-1-yl]-2,5-dimethylpyrrole is sourced from PubChem (CID 1207569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).