2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole

C20H17N — CID 102597288

IUPAC2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
SMILESC(=C/c1ccc(/C=C/c2ccccc2)[nH]1)\c1ccccc1
InChIInChI=1S/C20H17N/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-16,21H/b13-11+,14-12+
InChIKeyZKXYXRKJGBIGSN-PHEQNACWSA-N
MW271.36 g/mol
LogP5.36
Rot. Bonds4

About 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole

2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole (PubChem CID 102597288) has the molecular formula C20H17N and a molecular weight of 271.36 g/mol. Its IUPAC name is 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole.

Molecular Properties

Compound Name2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
PubChem CID102597288
Molecular FormulaC20H17N
Molecular Weight271.36 g/mol
Exact Mass271.14
IUPAC Name2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole
SMILESC(=C/c1ccc(/C=C/c2ccccc2)[nH]1)\c1ccccc1
InChIInChI=1S/C20H17N/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-16,21H/b13-11+,14-12+
InChIKeyZKXYXRKJGBIGSN-PHEQNACWSA-N
XLogP5.36
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.36
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

CID 70567885
CID 70567885
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CID 70569152
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4-(2-phenylethenyl)-3H-1,3-thiazole-2-thione
CID 54395958
2-methyl-5-(2-phenylethenyl)-1H-imidazole
CID 175264708
stilbene azide
CID 159769295
CID 154707954
CID 154707954
N,N-dimethylmethanamine;stilbene
CID 174368184
6-(2-phenylethenyl)-2-sulfanylidene-1H-pyrimidin-4-one
CID 138857506
ethane;5-[(E)-2-phenylethenyl]-1H-pyrazole
CID 90810948
[(1Z,3Z)-4-phenylbuta-1,3-dienyl]benzene
CID 139179602

Frequently Asked Questions

What is the IUPAC name of 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole?
The IUPAC name of 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole (CID 102597288) is 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole.
What is the SMILES notation for 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole?
The canonical SMILES for 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole is C(=C/c1ccc(/C=C/c2ccccc2)[nH]1)\c1ccccc1.
What is the InChIKey of 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole?
The InChIKey is ZKXYXRKJGBIGSN-PHEQNACWSA-N. The full InChI is InChI=1S/C20H17N/c1-3-7-17(8-4-1)11-13-19-15-16-20(21-19)14-12-18-9-5-2-6-10-18/h1-16,21H/b13-11+,14-12+.
What are the key properties of 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole?
2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole has a molecular weight of 271.36 g/mol, XLogP of 5.36, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis[(E)-2-phenylethenyl]-1H-pyrrole is sourced from PubChem (CID 102597288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).