6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C24H24N6 — CID 118470770

IUPAC6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C24H24N6/c1-17(2)25-22-28-23(26-19-13-7-4-8-14-19)30-24(29-22)27-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-17H,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyHPIMLXPMHZWLCH-UHFFFAOYSA-N
MW396.50 g/mol
LogP5.85
Rot. Bonds7

About 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 118470770) has the molecular formula C24H24N6 and a molecular weight of 396.50 g/mol. Its IUPAC name is 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID118470770
Molecular FormulaC24H24N6
Molecular Weight396.50 g/mol
Exact Mass396.21
IUPAC Name6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2-c2ccccc2)n1
InChIInChI=1S/C24H24N6/c1-17(2)25-22-28-23(26-19-13-7-4-8-14-19)30-24(29-22)27-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-17H,1-2H3,(H3,25,26,27,28,29,30)
InChIKeyHPIMLXPMHZWLCH-UHFFFAOYSA-N
XLogP5.85
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.50
LogP ≤ 55.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 118470770) is 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2-c2ccccc2)n1.
What is the InChIKey of 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is HPIMLXPMHZWLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6/c1-17(2)25-22-28-23(26-19-13-7-4-8-14-19)30-24(29-22)27-21-16-10-9-15-20(21)18-11-5-3-6-12-18/h3-17H,1-2H3,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 396.50 g/mol, XLogP of 5.85, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-phenyl-4-N-(2-phenylphenyl)-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 118470770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).