2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine

C24H19N3 — CID 132563197

IUPAC2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine
SMILESC(=C/c1ccc(/C=C/c2ccccc2)n1-c1ncccn1)\c1ccccc1
InChIInChI=1S/C24H19N3/c1-3-8-20(9-4-1)12-14-22-16-17-23(15-13-21-10-5-2-6-11-21)27(22)24-25-18-7-19-26-24/h1-19H/b14-12+,15-13+
InChIKeyMGIPKZBTKPFWTG-QUMQEAAQSA-N
MW349.44 g/mol
LogP5.61
Rot. Bonds5

About 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine

2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine (PubChem CID 132563197) has the molecular formula C24H19N3 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine.

Molecular Properties

Compound Name2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine
PubChem CID132563197
Molecular FormulaC24H19N3
Molecular Weight349.44 g/mol
Exact Mass349.16
IUPAC Name2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine
SMILESC(=C/c1ccc(/C=C/c2ccccc2)n1-c1ncccn1)\c1ccccc1
InChIInChI=1S/C24H19N3/c1-3-8-20(9-4-1)12-14-22-16-17-23(15-13-21-10-5-2-6-11-21)27(22)24-25-18-7-19-26-24/h1-19H/b14-12+,15-13+
InChIKeyMGIPKZBTKPFWTG-QUMQEAAQSA-N
XLogP5.61
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.44
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine?
The IUPAC name of 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine (CID 132563197) is 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine.
What is the SMILES notation for 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine?
The canonical SMILES for 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine is C(=C/c1ccc(/C=C/c2ccccc2)n1-c1ncccn1)\c1ccccc1.
What is the InChIKey of 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine?
The InChIKey is MGIPKZBTKPFWTG-QUMQEAAQSA-N. The full InChI is InChI=1S/C24H19N3/c1-3-8-20(9-4-1)12-14-22-16-17-23(15-13-21-10-5-2-6-11-21)27(22)24-25-18-7-19-26-24/h1-19H/b14-12+,15-13+.
What are the key properties of 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine?
2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine has a molecular weight of 349.44 g/mol, XLogP of 5.61, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis[(E)-2-phenylethenyl]pyrrol-1-yl]pyrimidine is sourced from PubChem (CID 132563197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).