4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine

C32H41N7 — CID 175120225

IUPAC4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)c1ccc(Nc2nc(Nc3ccc(Nc4ccccc4)cc3)nc(NC(C)(C)CC(C)(C)C)n2)cc1
InChIInChI=1S/C32H41N7/c1-22(2)23-13-15-26(16-14-23)34-28-36-29(38-30(37-28)39-32(6,7)21-31(3,4)5)35-27-19-17-25(18-20-27)33-24-11-9-8-10-12-24/h8-20,22,33H,21H2,1-7H3,(H3,34,35,36,37,38,39)
InChIKeyZRBOTEVBRZIVBH-UHFFFAOYSA-N
MW523.73 g/mol
LogP8.85
Rot. Bonds10

About 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine

4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 175120225) has the molecular formula C32H41N7 and a molecular weight of 523.73 g/mol. Its IUPAC name is 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
PubChem CID175120225
Molecular FormulaC32H41N7
Molecular Weight523.73 g/mol
Exact Mass523.34
IUPAC Name4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)c1ccc(Nc2nc(Nc3ccc(Nc4ccccc4)cc3)nc(NC(C)(C)CC(C)(C)C)n2)cc1
InChIInChI=1S/C32H41N7/c1-22(2)23-13-15-26(16-14-23)34-28-36-29(38-30(37-28)39-32(6,7)21-31(3,4)5)35-27-19-17-25(18-20-27)33-24-11-9-8-10-12-24/h8-20,22,33H,21H2,1-7H3,(H3,34,35,36,37,38,39)
InChIKeyZRBOTEVBRZIVBH-UHFFFAOYSA-N
XLogP8.85
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.73
LogP ≤ 58.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine (CID 175120225) is 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine is CC(C)c1ccc(Nc2nc(Nc3ccc(Nc4ccccc4)cc3)nc(NC(C)(C)CC(C)(C)C)n2)cc1.
What is the InChIKey of 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is ZRBOTEVBRZIVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H41N7/c1-22(2)23-13-15-26(16-14-23)34-28-36-29(38-30(37-28)39-32(6,7)21-31(3,4)5)35-27-19-17-25(18-20-27)33-24-11-9-8-10-12-24/h8-20,22,33H,21H2,1-7H3,(H3,34,35,36,37,38,39).
What are the key properties of 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine?
4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 523.73 g/mol, XLogP of 8.85, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-anilinophenyl)-6-N-(4-propan-2-ylphenyl)-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 175120225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).