3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol

C27H27N3O2 — CID 139735231

IUPAC3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol
SMILESCCCC(CCO)Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H27N3O2/c1-2-11-22(18-19-31)32-24-17-10-9-16-23(24)27-29-25(20-12-5-3-6-13-20)28-26(30-27)21-14-7-4-8-15-21/h3-10,12-17,22,31H,2,11,18-19H2,1H3
InChIKeyBBUSLZHBLNAJOC-UHFFFAOYSA-N
MW425.53 g/mol
LogP5.80
Rot. Bonds9

About 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol

3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol (PubChem CID 139735231) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol.

Molecular Properties

Compound Name3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol
PubChem CID139735231
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol
SMILESCCCC(CCO)Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C27H27N3O2/c1-2-11-22(18-19-31)32-24-17-10-9-16-23(24)27-29-25(20-12-5-3-6-13-20)28-26(30-27)21-14-7-4-8-15-21/h3-10,12-17,22,31H,2,11,18-19H2,1H3
InChIKeyBBUSLZHBLNAJOC-UHFFFAOYSA-N
XLogP5.80
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.53
LogP ≤ 55.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol
CID 70037860
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol
CID 142674410
1-[(2S)-octan-2-yl]oxy-2-phenylbenzene
CID 122219918
4-(2-dodecan-4-yloxyphenyl)-2,6-bis(3-nitrophenyl)pyridine
CID 141380702
3-(2-phenylphenoxy)pentanenitrile
CID 43367670
N'-hydroxy-3-(2-phenylphenoxy)pentanimidamide
CID 43175259
2-(2-phenylphenoxy)-N-propan-2-ylbutan-1-amine
CID 62449487
2-[4-[4-(2-hydroxyphenyl)-6-phenyl-1,3,5-triazin-2-yl]-6-phenyl-1,3,5-triazin-2-yl]phenol
CID 135975716
2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine
CID 101057041
[2-(4-acetamido-6-phenyl-1,3,5-triazin-2-yl)phenyl] acetate
CID 871154
[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenyl] acetate
CID 18676250
2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]phenol;ethane
CID 136651088

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol?
The IUPAC name of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol (CID 139735231) is 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol.
What is the SMILES notation for 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol?
The canonical SMILES for 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol is CCCC(CCO)Oc1ccccc1-c1nc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol?
The InChIKey is BBUSLZHBLNAJOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-2-11-22(18-19-31)32-24-17-10-9-16-23(24)27-29-25(20-12-5-3-6-13-20)28-26(30-27)21-14-7-4-8-15-21/h3-10,12-17,22,31H,2,11,18-19H2,1H3.
What are the key properties of 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol?
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol has a molecular weight of 425.53 g/mol, XLogP of 5.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol is sourced from PubChem (CID 139735231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).