3,5-diphenyl-1H-pyrrol-2-amine

C16H14N2 — CID 22944493

IUPAC3,5-diphenyl-1H-pyrrol-2-amine
SMILESNc1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C16H14N2/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11,18H,17H2
InChIKeyVCOQMDNVAPPIOU-UHFFFAOYSA-N
MW234.30 g/mol
LogP3.93
Rot. Bonds2

About 3,5-diphenyl-1H-pyrrol-2-amine

3,5-diphenyl-1H-pyrrol-2-amine (PubChem CID 22944493) has the molecular formula C16H14N2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3,5-diphenyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3,5-diphenyl-1H-pyrrol-2-amine
PubChem CID22944493
Molecular FormulaC16H14N2
Molecular Weight234.30 g/mol
Exact Mass234.12
IUPAC Name3,5-diphenyl-1H-pyrrol-2-amine
SMILESNc1[nH]c(-c2ccccc2)cc1-c1ccccc1
InChIInChI=1S/C16H14N2/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11,18H,17H2
InChIKeyVCOQMDNVAPPIOU-UHFFFAOYSA-N
XLogP3.93
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-1H-pyrrol-2-amine?
The IUPAC name of 3,5-diphenyl-1H-pyrrol-2-amine (CID 22944493) is 3,5-diphenyl-1H-pyrrol-2-amine.
What is the SMILES notation for 3,5-diphenyl-1H-pyrrol-2-amine?
The canonical SMILES for 3,5-diphenyl-1H-pyrrol-2-amine is Nc1[nH]c(-c2ccccc2)cc1-c1ccccc1.
What is the InChIKey of 3,5-diphenyl-1H-pyrrol-2-amine?
The InChIKey is VCOQMDNVAPPIOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2/c17-16-14(12-7-3-1-4-8-12)11-15(18-16)13-9-5-2-6-10-13/h1-11,18H,17H2.
What are the key properties of 3,5-diphenyl-1H-pyrrol-2-amine?
3,5-diphenyl-1H-pyrrol-2-amine has a molecular weight of 234.30 g/mol, XLogP of 3.93, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-1H-pyrrol-2-amine is sourced from PubChem (CID 22944493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).