3,4,5-triphenyl-1H-pyrrol-2-amine

C22H18N2 — CID 172835095

IUPAC3,4,5-triphenyl-1H-pyrrol-2-amine
SMILESNc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2/c23-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-22)18-14-8-3-9-15-18/h1-15,24H,23H2
InChIKeyWASZLQTZARTLLH-UHFFFAOYSA-N
MW310.40 g/mol
LogP5.60
Rot. Bonds3

About 3,4,5-triphenyl-1H-pyrrol-2-amine

3,4,5-triphenyl-1H-pyrrol-2-amine (PubChem CID 172835095) has the molecular formula C22H18N2 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3,4,5-triphenyl-1H-pyrrol-2-amine.

Molecular Properties

Compound Name3,4,5-triphenyl-1H-pyrrol-2-amine
PubChem CID172835095
Molecular FormulaC22H18N2
Molecular Weight310.40 g/mol
Exact Mass310.15
IUPAC Name3,4,5-triphenyl-1H-pyrrol-2-amine
SMILESNc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C22H18N2/c23-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-22)18-14-8-3-9-15-18/h1-15,24H,23H2
InChIKeyWASZLQTZARTLLH-UHFFFAOYSA-N
XLogP5.60
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.40
LogP ≤ 55.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-1H-pyrrol-2-amine?
The IUPAC name of 3,4,5-triphenyl-1H-pyrrol-2-amine (CID 172835095) is 3,4,5-triphenyl-1H-pyrrol-2-amine.
What is the SMILES notation for 3,4,5-triphenyl-1H-pyrrol-2-amine?
The canonical SMILES for 3,4,5-triphenyl-1H-pyrrol-2-amine is Nc1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3,4,5-triphenyl-1H-pyrrol-2-amine?
The InChIKey is WASZLQTZARTLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2/c23-22-20(17-12-6-2-7-13-17)19(16-10-4-1-5-11-16)21(24-22)18-14-8-3-9-15-18/h1-15,24H,23H2.
What are the key properties of 3,4,5-triphenyl-1H-pyrrol-2-amine?
3,4,5-triphenyl-1H-pyrrol-2-amine has a molecular weight of 310.40 g/mol, XLogP of 5.60, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-1H-pyrrol-2-amine is sourced from PubChem (CID 172835095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).