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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Related Compounds

2-amino-4,5-diphenyl-1H-pyrrole-3-carbonitrile
CID 102016835
2-chloro-3,4,5-triphenyl-1H-pyrrole
CID 174984725
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
4-N,4-N-dimethyl-5,6-diphenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 86580360
4-(2,4,5-triphenyl-1H-pyrrol-3-yl)-1,2,4-triazole
CID 132534551
2-amino-3-phenyl-1H-indole-5,6-dicarbonitrile
CID 91739124
4-[2-(4-phenylphenyl)-1H-indol-3-yl]phenol
CID 132917859
9-iodo-10-phenylanthracene
CID 14958373
3-(4-tert-butylphenyl)-2-phenyl-1H-indole
CID 12065981
2-(4-fluorophenyl)-3-phenyl-1H-quinolin-4-one
CID 19067574
2,3-diphenyl-6,7-dihydro-1H-pyrrolo[2,3-c]pyridine
CID 86341844
2,3,4-triphenyl-1H-pyrrole;hydrochloride
CID 172844821

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).