(4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid

C15H12N3O3P — CID 134535663

IUPAC(4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid
SMILESO=P(O)(O)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H12N3O3P/c19-22(20,21)15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,19,20,21)
InChIKeyDOMRNCGICNNSIP-UHFFFAOYSA-N
MW313.25 g/mol
LogP2.01
Rot. Bonds3

About (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid

(4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid (PubChem CID 134535663) has the molecular formula C15H12N3O3P and a molecular weight of 313.25 g/mol. Its IUPAC name is (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid.

Molecular Properties

Compound Name(4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid
PubChem CID134535663
Molecular FormulaC15H12N3O3P
Molecular Weight313.25 g/mol
Exact Mass313.06
IUPAC Name(4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid
SMILESO=P(O)(O)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C15H12N3O3P/c19-22(20,21)15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,19,20,21)
InChIKeyDOMRNCGICNNSIP-UHFFFAOYSA-N
XLogP2.01
TPSA96.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.25
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[4-[(3E)-hexa-1,3,5-trien-3-yl]-6-phenyl-1,3,5-triazin-2-yl]phosphonic acid
CID 142351616
2-[4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 140901969
2,4-diphenyl-6-[4-[4-[4-(1,2,2-triphenylethenyl)phenyl]phenyl]phenyl]-1,3,5-triazine
CID 138548269
4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-amine
CID 22352251
4-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 140901998
2-[4-[4-(4-diphenylphosphorylphenyl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 140901916
2-[4-[3-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-5-phenylphenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943296
2-[4-[3-(3,5-diphenylphenyl)-5-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 58943623
2-[4-[6-(4-diphenylphosphorylphenyl)naphthalen-2-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 140901948
4-[4-diphenylphosphoryl-6-(4-methylphenyl)-1,3,5-triazin-2-yl]aniline
CID 163411287
2-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[3-[3-[4,6-bis(3-phenylphenyl)-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 157455231
2,4-bis[4-(3-phenylphenyl)phenyl]-6-[4-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 166571194

Frequently Asked Questions

What is the IUPAC name of (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid?
The IUPAC name of (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid (CID 134535663) is (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid.
What is the SMILES notation for (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid?
The canonical SMILES for (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid is O=P(O)(O)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid?
The InChIKey is DOMRNCGICNNSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N3O3P/c19-22(20,21)15-17-13(11-7-3-1-4-8-11)16-14(18-15)12-9-5-2-6-10-12/h1-10H,(H2,19,20,21).
What are the key properties of (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid?
(4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid has a molecular weight of 313.25 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,6-diphenyl-1,3,5-triazin-2-yl)phosphonic acid is sourced from PubChem (CID 134535663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).