4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline

C28H23N4OP — CID 163411287

IUPAC4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESCc1ccc(-c2nc(-c3ccc(N)cc3)nc(P(=O)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H23N4OP/c1-20-12-14-21(15-13-20)26-30-27(22-16-18-23(29)19-17-22)32-28(31-26)34(33,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-19H,29H2,1H3
InChIKeyAASNRUDPMOOAOZ-UHFFFAOYSA-N
MW462.49 g/mol
LogP4.74
Rot. Bonds5

About 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline

4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline (PubChem CID 163411287) has the molecular formula C28H23N4OP and a molecular weight of 462.49 g/mol. Its IUPAC name is 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline.

Molecular Properties

Compound Name4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline
PubChem CID163411287
Molecular FormulaC28H23N4OP
Molecular Weight462.49 g/mol
Exact Mass462.16
IUPAC Name4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline
SMILESCc1ccc(-c2nc(-c3ccc(N)cc3)nc(P(=O)(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C28H23N4OP/c1-20-12-14-21(15-13-20)26-30-27(22-16-18-23(29)19-17-22)32-28(31-26)34(33,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-19H,29H2,1H3
InChIKeyAASNRUDPMOOAOZ-UHFFFAOYSA-N
XLogP4.74
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline?
The IUPAC name of 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline (CID 163411287) is 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline.
What is the SMILES notation for 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline?
The canonical SMILES for 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline is Cc1ccc(-c2nc(-c3ccc(N)cc3)nc(P(=O)(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline?
The InChIKey is AASNRUDPMOOAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N4OP/c1-20-12-14-21(15-13-20)26-30-27(22-16-18-23(29)19-17-22)32-28(31-26)34(33,24-8-4-2-5-9-24)25-10-6-3-7-11-25/h2-19H,29H2,1H3.
What are the key properties of 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline?
4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline has a molecular weight of 462.49 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline is sourced from PubChem (CID 163411287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).