2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole

C32H27N — CID 150383648

IUPAC2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole
SMILESCCc1cc(-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c[nH]1
InChIInChI=1S/C32H27N/c1-2-30-22-29(23-33-30)24-18-20-28(21-19-24)32(27-16-10-5-11-17-27)31(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-23,33H,2H2,1H3
InChIKeyHAGIJWLKOGIKEO-UHFFFAOYSA-N
MW425.58 g/mol
LogP8.25
Rot. Bonds6

About 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole

2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole (PubChem CID 150383648) has the molecular formula C32H27N and a molecular weight of 425.58 g/mol. Its IUPAC name is 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole
PubChem CID150383648
Molecular FormulaC32H27N
Molecular Weight425.58 g/mol
Exact Mass425.21
IUPAC Name2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole
SMILESCCc1cc(-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c[nH]1
InChIInChI=1S/C32H27N/c1-2-30-22-29(23-33-30)24-18-20-28(21-19-24)32(27-16-10-5-11-17-27)31(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-23,33H,2H2,1H3
InChIKeyHAGIJWLKOGIKEO-UHFFFAOYSA-N
XLogP8.25
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 58.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole?
The IUPAC name of 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole (CID 150383648) is 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole.
What is the SMILES notation for 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole?
The canonical SMILES for 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole is CCc1cc(-c2ccc(C(=C(c3ccccc3)c3ccccc3)c3ccccc3)cc2)c[nH]1.
What is the InChIKey of 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole?
The InChIKey is HAGIJWLKOGIKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H27N/c1-2-30-22-29(23-33-30)24-18-20-28(21-19-24)32(27-16-10-5-11-17-27)31(25-12-6-3-7-13-25)26-14-8-4-9-15-26/h3-23,33H,2H2,1H3.
What are the key properties of 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole?
2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole has a molecular weight of 425.58 g/mol, XLogP of 8.25, 6 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-[4-(1,2,2-triphenylethenyl)phenyl]-1H-pyrrole is sourced from PubChem (CID 150383648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).