3,4-dichloro-2,5-diphenyl-1H-pyrrole

C16H11Cl2N — CID 10708464

IUPAC3,4-dichloro-2,5-diphenyl-1H-pyrrole
SMILESClc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11Cl2N/c17-13-14(18)16(12-9-5-2-6-10-12)19-15(13)11-7-3-1-4-8-11/h1-10,19H
InChIKeyAANPMABCJQGXQJ-UHFFFAOYSA-N
MW288.18 g/mol
LogP5.66
Rot. Bonds2

About 3,4-dichloro-2,5-diphenyl-1H-pyrrole

3,4-dichloro-2,5-diphenyl-1H-pyrrole (PubChem CID 10708464) has the molecular formula C16H11Cl2N and a molecular weight of 288.18 g/mol. Its IUPAC name is 3,4-dichloro-2,5-diphenyl-1H-pyrrole.

Molecular Properties

Compound Name3,4-dichloro-2,5-diphenyl-1H-pyrrole
PubChem CID10708464
Molecular FormulaC16H11Cl2N
Molecular Weight288.18 g/mol
Exact Mass287.03
IUPAC Name3,4-dichloro-2,5-diphenyl-1H-pyrrole
SMILESClc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1Cl
InChIInChI=1S/C16H11Cl2N/c17-13-14(18)16(12-9-5-2-6-10-12)19-15(13)11-7-3-1-4-8-11/h1-10,19H
InChIKeyAANPMABCJQGXQJ-UHFFFAOYSA-N
XLogP5.66
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.18
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-2,5-diphenyl-1H-pyrrole?
The IUPAC name of 3,4-dichloro-2,5-diphenyl-1H-pyrrole (CID 10708464) is 3,4-dichloro-2,5-diphenyl-1H-pyrrole.
What is the SMILES notation for 3,4-dichloro-2,5-diphenyl-1H-pyrrole?
The canonical SMILES for 3,4-dichloro-2,5-diphenyl-1H-pyrrole is Clc1c(-c2ccccc2)[nH]c(-c2ccccc2)c1Cl.
What is the InChIKey of 3,4-dichloro-2,5-diphenyl-1H-pyrrole?
The InChIKey is AANPMABCJQGXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N/c17-13-14(18)16(12-9-5-2-6-10-12)19-15(13)11-7-3-1-4-8-11/h1-10,19H.
What are the key properties of 3,4-dichloro-2,5-diphenyl-1H-pyrrole?
3,4-dichloro-2,5-diphenyl-1H-pyrrole has a molecular weight of 288.18 g/mol, XLogP of 5.66, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-2,5-diphenyl-1H-pyrrole is sourced from PubChem (CID 10708464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).