4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine

C29H28N8 — CID 90388861

IUPAC4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine
SMILESNc1cccc(Nc2nc(Nc3cccc(N)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)c1
InChIInChI=1S/C29H28N8/c30-23-13-7-15-25(17-23)32-27-34-28(33-26-16-8-14-24(31)18-26)36-29(35-27)37(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-18H,19-20,30-31H2,(H2,32,33,34,35,36)
InChIKeyDWLFXWUNMNPLOM-UHFFFAOYSA-N
MW488.60 g/mol
LogP5.73
Rot. Bonds9

About 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 90388861) has the molecular formula C29H28N8 and a molecular weight of 488.60 g/mol. Its IUPAC name is 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine
PubChem CID90388861
Molecular FormulaC29H28N8
Molecular Weight488.60 g/mol
Exact Mass488.24
IUPAC Name4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine
SMILESNc1cccc(Nc2nc(Nc3cccc(N)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)c1
InChIInChI=1S/C29H28N8/c30-23-13-7-15-25(17-23)32-27-34-28(33-26-16-8-14-24(31)18-26)36-29(35-27)37(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-18H,19-20,30-31H2,(H2,32,33,34,35,36)
InChIKeyDWLFXWUNMNPLOM-UHFFFAOYSA-N
XLogP5.73
TPSA118.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.60
LogP ≤ 55.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-(3-aminophenyl)-4-N,6-N-dibenzyl-1,3,5-triazine-2,4,6-triamine;ethane
CID 91094549
4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dinaphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
CID 90388781
4-N,6-N-bis(4-aminophenyl)-2-N,2-N-diphenyl-1,3,5-triazine-2,4,6-triamine;2-N,4-N-bis(3-aminophenyl)-6-N-phenyl-1,3,5-triazine-2,4,6-triamine
CID 118574790
5-[[4-(dibenzylamino)-6-[(1,3-dioxoisoindol-5-yl)amino]-1,3,5-triazin-2-yl]amino]isoindole-1,3-dione
CID 147161435
2-N,4-N-bis(3-aminophenyl)-6-N-[(4-aminophenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 11546096
2-N,4-N-bis(3-aminophenyl)-6-N-[2-(4-aminophenyl)ethyl]-1,3,5-triazine-2,4,6-triamine
CID 11683342
(2S)-6-[[4,6-bis(3-aminoanilino)-1,3,5-triazin-2-yl]-methylamino]hexane-1,2-diol
CID 143193128
2-[[4-(3-aminoanilino)-6-[2-[4-[[4,6-bis(3-aminoanilino)-1,3,5-triazin-2-yl]amino]phenyl]ethylamino]-1,3,5-triazin-2-yl]amino]ethanol
CID 45486433
2-N,2-N-diethyl-4-N-(3-methylphenyl)-1,3,5-triazine-2,4,6-triamine
CID 80755464
1-amino-3-[[benzyl(methyl)sulfamoyl]amino]benzene
CID 43602691
N-benzyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]-N-methylbenzamide
CID 100779100
4-N-(3-aminophenyl)-6-N-cyclopropyl-2-N-[3-(methylamino)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 143193149

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine (CID 90388861) is 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine is Nc1cccc(Nc2nc(Nc3cccc(N)c3)nc(N(Cc3ccccc3)Cc3ccccc3)n2)c1.
What is the InChIKey of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DWLFXWUNMNPLOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N8/c30-23-13-7-15-25(17-23)32-27-34-28(33-26-16-8-14-24(31)18-26)36-29(35-27)37(19-21-9-3-1-4-10-21)20-22-11-5-2-6-12-22/h1-18H,19-20,30-31H2,(H2,32,33,34,35,36).
What are the key properties of 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 488.60 g/mol, XLogP of 5.73, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(3-aminophenyl)-2-N,2-N-dibenzyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 90388861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).