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

C27H27N3O2 — CID 142674410

IUPAC2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol
SMILESCCCCC(Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)Oc1ccccc1O
InChIInChI=1S/C27H27N3O2/c1-2-3-16-22(32-24-18-11-10-17-23(24)31)19-25-28-26(20-12-6-4-7-13-20)30-27(29-25)21-14-8-5-9-15-21/h4-15,17-18,22,31H,2-3,16,19H2,1H3
InChIKeyAOYKFMAQOMWQAX-UHFFFAOYSA-N
MW425.53 g/mol
LogP6.09
Rot. Bonds9

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

2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol (PubChem CID 142674410) has the molecular formula C27H27N3O2 and a molecular weight of 425.53 g/mol. Its IUPAC name is 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol.

Molecular Properties

Compound Name2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol
PubChem CID142674410
Molecular FormulaC27H27N3O2
Molecular Weight425.53 g/mol
Exact Mass425.21
IUPAC Name2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol
SMILESCCCCC(Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)Oc1ccccc1O
InChIInChI=1S/C27H27N3O2/c1-2-3-16-22(32-24-18-11-10-17-23(24)31)19-25-28-26(20-12-6-4-7-13-20)30-27(29-25)21-14-8-5-9-15-21/h4-15,17-18,22,31H,2-3,16,19H2,1H3
InChIKeyAOYKFMAQOMWQAX-UHFFFAOYSA-N
XLogP6.09
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 ≤ 56.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol with MolForge

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Related Compounds

2-(1-phenylpentoxy)phenol
CID 67179241
3-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]hexan-1-ol
CID 139735231
4-methoxy-5-phenyltriazine;2-octan-3-yloxyphenol
CID 66601019
2-tetradecan-5-yloxybenzoic acid
CID 54162173
4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 135843600
1,2-di(octan-3-yloxy)benzene
CID 168861859
1-octoxyethyl 4-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]-3-hydroxybenzoate
CID 136934036
3-[2-[4,6-bis(4-phenylphenyl)-1,3,5-triazin-2-yl]hexoxy]phenol
CID 137375454
2-[4-(4-butylphenyl)phenyl]-4,6-bis(4-phenylphenyl)-1,3,5-triazine
CID 134182691
2-chloro-4-hexan-2-yl-6-phenyl-1,3,5-triazine
CID 139499873
2-ethyl-4-(4-methoxyphenyl)-6-phenyl-1,3,5-triazine
CID 171108749
[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenoxy]methanol
CID 70037860

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol?
The IUPAC name of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol (CID 142674410) is 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol.
What is the SMILES notation for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol?
The canonical SMILES for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol is CCCCC(Cc1nc(-c2ccccc2)nc(-c2ccccc2)n1)Oc1ccccc1O.
What is the InChIKey of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol?
The InChIKey is AOYKFMAQOMWQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O2/c1-2-3-16-22(32-24-18-11-10-17-23(24)31)19-25-28-26(20-12-6-4-7-13-20)30-27(29-25)21-14-8-5-9-15-21/h4-15,17-18,22,31H,2-3,16,19H2,1H3.
What are the key properties of 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol?
2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol has a molecular weight of 425.53 g/mol, XLogP of 6.09, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)hexan-2-yloxy]phenol is sourced from PubChem (CID 142674410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).