1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole

C18H16N4 — CID 67907259

IUPAC1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole
SMILESc1ccn(C(=C(n2cccc2)n2cccc2)n2cccc2)c1
InChIInChI=1S/C18H16N4/c1-2-10-19(9-1)17(20-11-3-4-12-20)18(21-13-5-6-14-21)22-15-7-8-16-22/h1-16H
InChIKeyJUXBSBRAXCDIKX-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.36
Rot. Bonds4

About 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole

1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole (PubChem CID 67907259) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole.

Molecular Properties

Compound Name1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole
PubChem CID67907259
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole
SMILESc1ccn(C(=C(n2cccc2)n2cccc2)n2cccc2)c1
InChIInChI=1S/C18H16N4/c1-2-10-19(9-1)17(20-11-3-4-12-20)18(21-13-5-6-14-21)22-15-7-8-16-22/h1-16H
InChIKeyJUXBSBRAXCDIKX-UHFFFAOYSA-N
XLogP3.36
TPSA19.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
The IUPAC name of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole (CID 67907259) is 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole.
What is the SMILES notation for 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
The canonical SMILES for 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole is c1ccn(C(=C(n2cccc2)n2cccc2)n2cccc2)c1.
What is the InChIKey of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
The InChIKey is JUXBSBRAXCDIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-2-10-19(9-1)17(20-11-3-4-12-20)18(21-13-5-6-14-21)22-15-7-8-16-22/h1-16H.
What are the key properties of 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole?
1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole has a molecular weight of 288.35 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,2,2-tri(pyrrol-1-yl)ethenyl]pyrrole is sourced from PubChem (CID 67907259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).