2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole

C23H17NOS2 — CID 121298540

IUPAC2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole
SMILESC1=C(c2ccc(-c3ccc(/C=C/c4cccs4)[nH]3)s2)COc2ccccc21
InChIInChI=1S/C23H17NOS2/c1-2-6-21-16(4-1)14-17(15-25-21)22-11-12-23(27-22)20-10-8-18(24-20)7-9-19-5-3-13-26-19/h1-14,24H,15H2/b9-7+
InChIKeyPNNWMDSZUKNTDH-VQHVLOKHSA-N
MW387.53 g/mol
LogP6.91
Rot. Bonds4

About 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole

2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole (PubChem CID 121298540) has the molecular formula C23H17NOS2 and a molecular weight of 387.53 g/mol. Its IUPAC name is 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole
PubChem CID121298540
Molecular FormulaC23H17NOS2
Molecular Weight387.53 g/mol
Exact Mass387.08
IUPAC Name2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole
SMILESC1=C(c2ccc(-c3ccc(/C=C/c4cccs4)[nH]3)s2)COc2ccccc21
InChIInChI=1S/C23H17NOS2/c1-2-6-21-16(4-1)14-17(15-25-21)22-11-12-23(27-22)20-10-8-18(24-20)7-9-19-5-3-13-26-19/h1-14,24H,15H2/b9-7+
InChIKeyPNNWMDSZUKNTDH-VQHVLOKHSA-N
XLogP6.91
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.53
LogP ≤ 56.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole?
The IUPAC name of 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole (CID 121298540) is 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole.
What is the SMILES notation for 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole?
The canonical SMILES for 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole is C1=C(c2ccc(-c3ccc(/C=C/c4cccs4)[nH]3)s2)COc2ccccc21.
What is the InChIKey of 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole?
The InChIKey is PNNWMDSZUKNTDH-VQHVLOKHSA-N. The full InChI is InChI=1S/C23H17NOS2/c1-2-6-21-16(4-1)14-17(15-25-21)22-11-12-23(27-22)20-10-8-18(24-20)7-9-19-5-3-13-26-19/h1-14,24H,15H2/b9-7+.
What are the key properties of 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole?
2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole has a molecular weight of 387.53 g/mol, XLogP of 6.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2H-chromen-3-yl)thiophen-2-yl]-5-[(E)-2-thiophen-2-ylethenyl]-1H-pyrrole is sourced from PubChem (CID 121298540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).