3,4,5-triphenylaniline

C24H19N — CID 123249258

IUPAC3,4,5-triphenylaniline
SMILESNc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C24H19N/c25-21-16-22(18-10-4-1-5-11-18)24(20-14-8-3-9-15-20)23(17-21)19-12-6-2-7-13-19/h1-17H,25H2
InChIKeyXHJGTYZTADNNBL-UHFFFAOYSA-N
MW321.42 g/mol
LogP6.27
Rot. Bonds3

About 3,4,5-triphenylaniline

3,4,5-triphenylaniline (PubChem CID 123249258) has the molecular formula C24H19N and a molecular weight of 321.42 g/mol. Its IUPAC name is 3,4,5-triphenylaniline.

Molecular Properties

Compound Name3,4,5-triphenylaniline
PubChem CID123249258
Molecular FormulaC24H19N
Molecular Weight321.42 g/mol
Exact Mass321.15
IUPAC Name3,4,5-triphenylaniline
SMILESNc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1
InChIInChI=1S/C24H19N/c25-21-16-22(18-10-4-1-5-11-18)24(20-14-8-3-9-15-20)23(17-21)19-12-6-2-7-13-19/h1-17H,25H2
InChIKeyXHJGTYZTADNNBL-UHFFFAOYSA-N
XLogP6.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2,3-diphenylbicyclo[3.1.0]hexa-1(6),2,4-triene
CID 19931086
4-methyl-5-phenylbenzene-1,3-diamine
CID 19849980
methane;1,2,3,4,5-pentakis-phenylbenzene;1,2,4,5-tetraphenylbenzene
CID 161142859
2,4,6-triphenylbenzene-1,3,5-triamine
CID 22926582
2-phenyl-1-(2-phenylazulen-1-yl)azulene
CID 177444827
2-(2,4-diamino-6-phenylanilino)ethanol
CID 156539300
2-(3,4,5-triphenylphenyl)acetamide
CID 178028831
bis(4-phenyl-3,5-di(propan-2-yl)aniline);hydrate
CID 174678037
2-(3,4,5-triphenylphenyl)naphthalene
CID 54408952
4-methyl-2,6-diphenylbenzene-1,3-diamine
CID 174990680
3-[2-(2-phenylphenyl)phenyl]aniline
CID 172502206
4-(2-phenylphenyl)benzene-1,2-diamine
CID 122667618

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenylaniline?
The IUPAC name of 3,4,5-triphenylaniline (CID 123249258) is 3,4,5-triphenylaniline.
What is the SMILES notation for 3,4,5-triphenylaniline?
The canonical SMILES for 3,4,5-triphenylaniline is Nc1cc(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1.
What is the InChIKey of 3,4,5-triphenylaniline?
The InChIKey is XHJGTYZTADNNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N/c25-21-16-22(18-10-4-1-5-11-18)24(20-14-8-3-9-15-20)23(17-21)19-12-6-2-7-13-19/h1-17H,25H2.
What are the key properties of 3,4,5-triphenylaniline?
3,4,5-triphenylaniline has a molecular weight of 321.42 g/mol, XLogP of 6.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenylaniline is sourced from PubChem (CID 123249258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).