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

C18H16N4 — CID 11011667

IUPAC2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
SMILESc1c[nH]c(C(=C(c2ccc[nH]2)c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C18H16N4/c1-5-13(19-9-1)17(14-6-2-10-20-14)18(15-7-3-11-21-15)16-8-4-12-22-16/h1-12,19-22H
InChIKeyNGQGICONUKHKSZ-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.01
Rot. Bonds4

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

2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole (PubChem CID 11011667) has the molecular formula C18H16N4 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
PubChem CID11011667
Molecular FormulaC18H16N4
Molecular Weight288.35 g/mol
Exact Mass288.14
IUPAC Name2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole
SMILESc1c[nH]c(C(=C(c2ccc[nH]2)c2ccc[nH]2)c2ccc[nH]2)c1
InChIInChI=1S/C18H16N4/c1-5-13(19-9-1)17(14-6-2-10-20-14)18(15-7-3-11-21-15)16-8-4-12-22-16/h1-12,19-22H
InChIKeyNGQGICONUKHKSZ-UHFFFAOYSA-N
XLogP4.01
TPSA63.16 Ų
H-Bond Donors4
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole?
The IUPAC name of 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole (CID 11011667) is 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole.
What is the SMILES notation for 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole?
The canonical SMILES for 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole is c1c[nH]c(C(=C(c2ccc[nH]2)c2ccc[nH]2)c2ccc[nH]2)c1.
What is the InChIKey of 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole?
The InChIKey is NGQGICONUKHKSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4/c1-5-13(19-9-1)17(14-6-2-10-20-14)18(15-7-3-11-21-15)16-8-4-12-22-16/h1-12,19-22H.
What are the key properties of 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole?
2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole has a molecular weight of 288.35 g/mol, XLogP of 4.01, 4 rotatable bonds, 4 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,2,2-tris(1H-pyrrol-2-yl)ethenyl]-1H-pyrrole is sourced from PubChem (CID 11011667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).