(4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol

C22H16BrN3O — CID 121456194

IUPAC(4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol
SMILESOC(c1ccc(Br)cc1)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H16BrN3O/c23-18-13-11-15(12-14-18)19(27)22-25-20(16-7-3-1-4-8-16)24-21(26-22)17-9-5-2-6-10-17/h1-14,19,27H
InChIKeyNGLSUDUDPPVBAJ-UHFFFAOYSA-N
MW418.29 g/mol
LogP5.05
Rot. Bonds4

About (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol

(4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol (PubChem CID 121456194) has the molecular formula C22H16BrN3O and a molecular weight of 418.29 g/mol. Its IUPAC name is (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol.

Molecular Properties

Compound Name(4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol
PubChem CID121456194
Molecular FormulaC22H16BrN3O
Molecular Weight418.29 g/mol
Exact Mass417.05
IUPAC Name(4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol
SMILESOC(c1ccc(Br)cc1)c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C22H16BrN3O/c23-18-13-11-15(12-14-18)19(27)22-25-20(16-7-3-1-4-8-16)24-21(26-22)17-9-5-2-6-10-17/h1-14,19,27H
InChIKeyNGLSUDUDPPVBAJ-UHFFFAOYSA-N
XLogP5.05
TPSA58.90 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.29
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[hydroxy(phenyl)methyl]-6-phenyl-1,3,5-triazin-2-yl]benzonitrile
CID 102261775
(S)-(4-bromophenyl)-phenylmethanol
CID 778571
(S)-(4-bromophenyl)-phenylmethanol;carbon monoxide;chromium
CID 10873031
2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine;4-(4-bromophenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 154929027
2-(4-bromophenyl)-4-naphthalen-2-yl-6-phenyl-1,3,5-triazine
CID 126701419
2-(5-bromo-2-pyridinyl)-4,6-diphenyl-1,3,5-triazine
CID 142592699
9-[4-[4-(4-bromophenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]carbazole
CID 142751576
2-[4-(4-bromophenyl)phenyl]-4-phenyl-6-(4-pyridin-3-ylphenyl)-1,3,5-triazine
CID 155757980
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
2-(4-bromophenyl)-4-phenanthren-9-yl-6-phenyl-1,3,5-triazine
CID 166009866
2-(4-bromophenyl)-4,6-bis(3-phenylphenyl)pyrimidine
CID 130452666
2-[4-(3-bromophenyl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 90135790

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol?
The IUPAC name of (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol (CID 121456194) is (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol.
What is the SMILES notation for (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol?
The canonical SMILES for (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol is OC(c1ccc(Br)cc1)c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol?
The InChIKey is NGLSUDUDPPVBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16BrN3O/c23-18-13-11-15(12-14-18)19(27)22-25-20(16-7-3-1-4-8-16)24-21(26-22)17-9-5-2-6-10-17/h1-14,19,27H.
What are the key properties of (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol?
(4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol has a molecular weight of 418.29 g/mol, XLogP of 5.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-(4,6-diphenyl-1,3,5-triazin-2-yl)methanol is sourced from PubChem (CID 121456194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).