phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone

C28H20N4O — CID 102261772

IUPACphenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone
SMILESO=C(c1ccccc1)c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H20N4O/c33-25(21-13-5-1-6-14-21)27-29-26(22-15-7-2-8-16-22)30-28(31-27)32(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyFJGBJKCSMJOYPK-UHFFFAOYSA-N
MW428.50 g/mol
LogP6.24
Rot. Bonds6

About phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone

phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone (PubChem CID 102261772) has the molecular formula C28H20N4O and a molecular weight of 428.50 g/mol. Its IUPAC name is phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone.

Molecular Properties

Compound Namephenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone
PubChem CID102261772
Molecular FormulaC28H20N4O
Molecular Weight428.50 g/mol
Exact Mass428.16
IUPAC Namephenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone
SMILESO=C(c1ccccc1)c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C28H20N4O/c33-25(21-13-5-1-6-14-21)27-29-26(22-15-7-2-8-16-22)30-28(31-27)32(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H
InChIKeyFJGBJKCSMJOYPK-UHFFFAOYSA-N
XLogP6.24
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.50
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone?
The IUPAC name of phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone (CID 102261772) is phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone.
What is the SMILES notation for phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone?
The canonical SMILES for phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone is O=C(c1ccccc1)c1nc(-c2ccccc2)nc(N(c2ccccc2)c2ccccc2)n1.
What is the InChIKey of phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone?
The InChIKey is FJGBJKCSMJOYPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20N4O/c33-25(21-13-5-1-6-14-21)27-29-26(22-15-7-2-8-16-22)30-28(31-27)32(23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20H.
What are the key properties of phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone?
phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone has a molecular weight of 428.50 g/mol, XLogP of 6.24, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-[4-phenyl-6-(N-phenylanilino)-1,3,5-triazin-2-yl]methanone is sourced from PubChem (CID 102261772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).