3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine

C30H25N3 — CID 174534266

IUPAC3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine
SMILESNc1c(-c2ccccc2)cc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C30H25N3/c31-28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)30(29(28)32)33(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,31-32H2
InChIKeyZEHWTMXSESOYCL-UHFFFAOYSA-N
MW427.55 g/mol
LogP7.65
Rot. Bonds5

About 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine

3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine (PubChem CID 174534266) has the molecular formula C30H25N3 and a molecular weight of 427.55 g/mol. Its IUPAC name is 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine.

Molecular Properties

Compound Name3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine
PubChem CID174534266
Molecular FormulaC30H25N3
Molecular Weight427.55 g/mol
Exact Mass427.20
IUPAC Name3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine
SMILESNc1c(-c2ccccc2)cc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1N
InChIInChI=1S/C30H25N3/c31-28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)30(29(28)32)33(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,31-32H2
InChIKeyZEHWTMXSESOYCL-UHFFFAOYSA-N
XLogP7.65
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.55
LogP ≤ 57.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethane;N,N,2,4,6-pentakis-phenylaniline
CID 158163955
2,4,6-triphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(2,4,6-triphenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132240
4-[4,5-diphenyl-2-[4-(N-phenylanilino)phenyl]phenyl]-N,N-diphenylaniline
CID 58943769
N,2,4,6-tetraphenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254099
N,2,3,5,6-pentakis-phenyl-N-[4-[2-(2-phenylphenyl)phenyl]phenyl]aniline
CID 174254112
N,N-diphenyl-4-[4-[3,6,7-tris[4-[4-(N-phenylanilino)phenyl]phenyl]biphenylen-2-yl]phenyl]aniline
CID 163604474
2,3-dimethyl-4,6-diphenylaniline
CID 139240980
1-N,3-N,4,6-tetraphenyl-1-N,3-N-bis(4-phenylphenyl)benzene-1,3-diamine
CID 118603843
tris(1,1'-biphenyl);N,N-diphenylaniline
CID 175290151
2,4,6-tris(4-phenylphenyl)aniline
CID 4248420
3-N-(2,6-diphenylphenyl)-5-fluoro-1-N,1-N,3-N-triphenylbenzene-1,3-diamine
CID 164813849
2,6-diphenyl-N-(4-phenylphenyl)-N-[4-[4-(4-phenyl-N-(4-phenylphenyl)anilino)phenyl]phenyl]aniline
CID 90132236

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine?
The IUPAC name of 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine (CID 174534266) is 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine.
What is the SMILES notation for 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine?
The canonical SMILES for 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine is Nc1c(-c2ccccc2)cc(-c2ccccc2)c(N(c2ccccc2)c2ccccc2)c1N.
What is the InChIKey of 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine?
The InChIKey is ZEHWTMXSESOYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3/c31-28-26(22-13-5-1-6-14-22)21-27(23-15-7-2-8-16-23)30(29(28)32)33(24-17-9-3-10-18-24)25-19-11-4-12-20-25/h1-21H,31-32H2.
What are the key properties of 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine?
3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine has a molecular weight of 427.55 g/mol, XLogP of 7.65, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N,4,6-tetraphenylbenzene-1,2,3-triamine is sourced from PubChem (CID 174534266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).