5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol

C24H20BrN3O3 — CID 136627778

IUPAC5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESOCCCc1ccc(-c2nc(-c3ccccc3)nc(-c3c(O)cc(O)cc3Br)n2)cc1
InChIInChI=1S/C24H20BrN3O3/c25-19-13-18(30)14-20(31)21(19)24-27-22(16-6-2-1-3-7-16)26-23(28-24)17-10-8-15(9-11-17)5-4-12-29/h1-3,6-11,13-14,29-31H,4-5,12H2
InChIKeyMGCWYIPETJTFEC-UHFFFAOYSA-N
MW478.35 g/mol
LogP4.97
Rot. Bonds6

About 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol

5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol (PubChem CID 136627778) has the molecular formula C24H20BrN3O3 and a molecular weight of 478.35 g/mol. Its IUPAC name is 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol
PubChem CID136627778
Molecular FormulaC24H20BrN3O3
Molecular Weight478.35 g/mol
Exact Mass477.07
IUPAC Name5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol
SMILESOCCCc1ccc(-c2nc(-c3ccccc3)nc(-c3c(O)cc(O)cc3Br)n2)cc1
InChIInChI=1S/C24H20BrN3O3/c25-19-13-18(30)14-20(31)21(19)24-27-22(16-6-2-1-3-7-16)26-23(28-24)17-10-8-15(9-11-17)5-4-12-29/h1-3,6-11,13-14,29-31H,4-5,12H2
InChIKeyMGCWYIPETJTFEC-UHFFFAOYSA-N
XLogP4.97
TPSA99.36 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.35
LogP ≤ 54.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-(2-hydroxyethoxy)benzene-1,3-diol
CID 137230804
4-(4-phenylphenyl)butan-1-ol
CID 11970468
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-bromo-4-(3-hydroxypropyl)phenol
CID 101080758
3-(4-naphthalen-2-ylphenyl)propan-1-ol
CID 145097669
1-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]naphthalen-2-ol
CID 156562288
2,4-bis(3-bromophenyl)-6-(4-dodecylphenyl)-1,3,5-triazine
CID 90243397
N-(4,6-diphenyl-1,3,5-triazin-2-yl)-4,6-diphenyl-N-[4-[4-[6-[4-[4-(N-phenylanilino)phenyl]phenyl]hexyl]phenyl]phenyl]-1,3,5-triazin-2-amine
CID 88918282
2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)-3,5-dihydroxyphenoxy]ethyl benzoate
CID 137201033
3-(4-methyl-3-phenylphenyl)propan-1-ol
CID 117325760
2-bromo-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 139271713
4-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-[6-[4,6-bis(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]hexyl]-6-(2,4-dihydroxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]benzene-1,3-diol;4-[4-(2,4-dihydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol;5-(2-hydroxyethoxy)-2-[4-[2-hydroxy-4-(2-hydroxyethoxy)phenyl]-6-(4-methoxyphenyl)-1,3,5-triazin-2-yl]phenol
CID 160593357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol?
The IUPAC name of 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol (CID 136627778) is 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol.
What is the SMILES notation for 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol?
The canonical SMILES for 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol is OCCCc1ccc(-c2nc(-c3ccccc3)nc(-c3c(O)cc(O)cc3Br)n2)cc1.
What is the InChIKey of 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol?
The InChIKey is MGCWYIPETJTFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrN3O3/c25-19-13-18(30)14-20(31)21(19)24-27-22(16-6-2-1-3-7-16)26-23(28-24)17-10-8-15(9-11-17)5-4-12-29/h1-3,6-11,13-14,29-31H,4-5,12H2.
What are the key properties of 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol?
5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol has a molecular weight of 478.35 g/mol, XLogP of 4.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[4-[4-(3-hydroxypropyl)phenyl]-6-phenyl-1,3,5-triazin-2-yl]benzene-1,3-diol is sourced from PubChem (CID 136627778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).