4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

C23H16N4O — CID 102261775

IUPAC4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(C(O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N4O/c24-15-16-11-13-19(14-12-16)22-25-21(18-9-5-2-6-10-18)26-23(27-22)20(28)17-7-3-1-4-8-17/h1-14,20,28H
InChIKeyFRPQZRZVPVJIES-UHFFFAOYSA-N
MW364.41 g/mol
LogP4.16
Rot. Bonds4

About 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile

4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (PubChem CID 102261775) has the molecular formula C23H16N4O and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
PubChem CID102261775
Molecular FormulaC23H16N4O
Molecular Weight364.41 g/mol
Exact Mass364.13
IUPAC Name4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc(-c3ccccc3)nc(C(O)c3ccccc3)n2)cc1
InChIInChI=1S/C23H16N4O/c24-15-16-11-13-19(14-12-16)22-25-21(18-9-5-2-6-10-18)26-23(27-22)20(28)17-7-3-1-4-8-17/h1-14,20,28H
InChIKeyFRPQZRZVPVJIES-UHFFFAOYSA-N
XLogP4.16
TPSA82.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-[4-[4-[4-[4-[4-[4-[4-[4-(4-cyanophenyl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]phenyl]phenyl]benzonitrile
CID 155476468
(4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol
CID 121456194
4-[4-[6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-2-yl]phenyl]benzonitrile
CID 134317916
4-[4-[4-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]phenyl]benzonitrile
CID 146326937
4-[4-[3-[3-(2,6-diphenylpyrimidin-4-yl)phenyl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 154614201
4-[4-(4-isocyanophenyl)-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 140889097
4-[4-[4-(2,5,6-triphenylpyrimidin-4-yl)phenyl]phenyl]benzonitrile
CID 139525696
4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]benzonitrile
CID 102136380
4-[6-(4-bromophenyl)-2-phenylpyrimidin-4-yl]benzonitrile
CID 44542251
4-[2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-yl]phenyl]benzonitrile
CID 138750094
4-[2,6-bis[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]benzonitrile
CID 170214643
4-[4-(4-bromophenyl)-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]benzonitrile
CID 156551370

Frequently Asked Questions

What is the IUPAC name of 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The IUPAC name of 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile (CID 102261775) is 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile.
What is the SMILES notation for 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The canonical SMILES for 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is N#Cc1ccc(-c2nc(-c3ccccc3)nc(C(O)c3ccccc3)n2)cc1.
What is the InChIKey of 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
The InChIKey is FRPQZRZVPVJIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O/c24-15-16-11-13-19(14-12-16)22-25-21(18-9-5-2-6-10-18)26-23(27-22)20(28)17-7-3-1-4-8-17/h1-14,20,28H.
What are the key properties of 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile?
4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile has a molecular weight of 364.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile is sourced from PubChem (CID 102261775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).