6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

C23H22N6O — CID 134138659

IUPAC6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H22N6O/c1-30-20-14-12-17(13-15-20)16-24-21-27-22(25-18-8-4-2-5-9-18)29-23(28-21)26-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyREOJOWVHLHWXJQ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.98
Rot. Bonds8

About 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine

6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 134138659) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
PubChem CID134138659
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine
SMILESCOc1ccc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1
InChIInChI=1S/C23H22N6O/c1-30-20-14-12-17(13-15-20)16-24-21-27-22(25-18-8-4-2-5-9-18)29-23(28-21)26-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H3,24,25,26,27,28,29)
InChIKeyREOJOWVHLHWXJQ-UHFFFAOYSA-N
XLogP4.98
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine (CID 134138659) is 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is COc1ccc(CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1.
What is the InChIKey of 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is REOJOWVHLHWXJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c1-30-20-14-12-17(13-15-20)16-24-21-27-22(25-18-8-4-2-5-9-18)29-23(28-21)26-19-10-6-3-7-11-19/h2-15H,16H2,1H3,(H3,24,25,26,27,28,29).
What are the key properties of 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine?
6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 398.47 g/mol, XLogP of 4.98, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(4-methoxyphenyl)methyl]-2-N,4-N-diphenyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 134138659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).