2,5-diphenoxy-1,3,4-triphenylpyrrole

C34H25NO2 — CID 134490293

IUPAC2,5-diphenoxy-1,3,4-triphenylpyrrole
SMILESc1ccc(Oc2c(-c3ccccc3)c(-c3ccccc3)c(Oc3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C34H25NO2/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(37-30-24-14-5-15-25-30)35(28-20-10-3-11-21-28)33(31)36-29-22-12-4-13-23-29/h1-25H
InChIKeyCHKXEFCNQUYSDW-UHFFFAOYSA-N
MW479.58 g/mol
LogP9.40
Rot. Bonds7

About 2,5-diphenoxy-1,3,4-triphenylpyrrole

2,5-diphenoxy-1,3,4-triphenylpyrrole (PubChem CID 134490293) has the molecular formula C34H25NO2 and a molecular weight of 479.58 g/mol. Its IUPAC name is 2,5-diphenoxy-1,3,4-triphenylpyrrole.

Molecular Properties

Compound Name2,5-diphenoxy-1,3,4-triphenylpyrrole
PubChem CID134490293
Molecular FormulaC34H25NO2
Molecular Weight479.58 g/mol
Exact Mass479.19
IUPAC Name2,5-diphenoxy-1,3,4-triphenylpyrrole
SMILESc1ccc(Oc2c(-c3ccccc3)c(-c3ccccc3)c(Oc3ccccc3)n2-c2ccccc2)cc1
InChIInChI=1S/C34H25NO2/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(37-30-24-14-5-15-25-30)35(28-20-10-3-11-21-28)33(31)36-29-22-12-4-13-23-29/h1-25H
InChIKeyCHKXEFCNQUYSDW-UHFFFAOYSA-N
XLogP9.40
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.58
LogP ≤ 59.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenoxy-1,3,4-triphenylpyrrole?
The IUPAC name of 2,5-diphenoxy-1,3,4-triphenylpyrrole (CID 134490293) is 2,5-diphenoxy-1,3,4-triphenylpyrrole.
What is the SMILES notation for 2,5-diphenoxy-1,3,4-triphenylpyrrole?
The canonical SMILES for 2,5-diphenoxy-1,3,4-triphenylpyrrole is c1ccc(Oc2c(-c3ccccc3)c(-c3ccccc3)c(Oc3ccccc3)n2-c2ccccc2)cc1.
What is the InChIKey of 2,5-diphenoxy-1,3,4-triphenylpyrrole?
The InChIKey is CHKXEFCNQUYSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H25NO2/c1-6-16-26(17-7-1)31-32(27-18-8-2-9-19-27)34(37-30-24-14-5-15-25-30)35(28-20-10-3-11-21-28)33(31)36-29-22-12-4-13-23-29/h1-25H.
What are the key properties of 2,5-diphenoxy-1,3,4-triphenylpyrrole?
2,5-diphenoxy-1,3,4-triphenylpyrrole has a molecular weight of 479.58 g/mol, XLogP of 9.40, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenoxy-1,3,4-triphenylpyrrole is sourced from PubChem (CID 134490293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).