2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine

C34H41N3O2 — CID 101057041

IUPAC2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCCCCCCCCCCCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C34H41N3O2/c1-3-4-5-6-7-8-9-10-11-18-25-39-29-23-24-30(31(26-29)38-2)34-36-32(27-19-14-12-15-20-27)35-33(37-34)28-21-16-13-17-22-28/h12-17,19-24,26H,3-11,18,25H2,1-2H3
InChIKeyZNUUAKQFLWEZGU-UHFFFAOYSA-N
MW523.72 g/mol
LogP9.18
Rot. Bonds16

About 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine

2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine (PubChem CID 101057041) has the molecular formula C34H41N3O2 and a molecular weight of 523.72 g/mol. Its IUPAC name is 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine.

Molecular Properties

Compound Name2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine
PubChem CID101057041
Molecular FormulaC34H41N3O2
Molecular Weight523.72 g/mol
Exact Mass523.32
IUPAC Name2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine
SMILESCCCCCCCCCCCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1
InChIInChI=1S/C34H41N3O2/c1-3-4-5-6-7-8-9-10-11-18-25-39-29-23-24-30(31(26-29)38-2)34-36-32(27-19-14-12-15-20-27)35-33(37-34)28-21-16-13-17-22-28/h12-17,19-24,26H,3-11,18,25H2,1-2H3
InChIKeyZNUUAKQFLWEZGU-UHFFFAOYSA-N
XLogP9.18
TPSA57.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.72
LogP ≤ 59.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenyl] acetate
CID 18676250
2-[4,6-bis(4-phenoxyphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenol
CID 135621952
2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol;(2-hydroxy-4-octoxyphenyl)-phenylmethanone
CID 175139599
2-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol
CID 135581689
[2-[4,6-bis(4-tert-butylphenyl)-1,3,5-triazin-2-yl]-5-octoxyphenyl] acetate
CID 18676242
2-(2-methoxy-4-octadecoxyphenyl)-1H-imidazo[4,5-f][1,10]phenanthroline
CID 10974012
2-[4,6-bis(4-chlorophenyl)-1,3,5-triazin-2-yl]-5-hexoxyphenol;octane
CID 158984811
4-chloro-2-(4,6-diphenyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 135843600
2-(4,6-dibenzyl-1,3,5-triazin-2-yl)-5-hexoxyphenol
CID 151805631
2-(2,4-dihexoxyphenyl)-1,3,5-triazine
CID 140984968
2-(4-hexoxyphenyl)-5-(10-phenoxydecoxy)pyrimidine
CID 102143365
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210

Frequently Asked Questions

What is the IUPAC name of 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
The IUPAC name of 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine (CID 101057041) is 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine.
What is the SMILES notation for 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
The canonical SMILES for 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine is CCCCCCCCCCCCOc1ccc(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)c(OC)c1.
What is the InChIKey of 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
The InChIKey is ZNUUAKQFLWEZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41N3O2/c1-3-4-5-6-7-8-9-10-11-18-25-39-29-23-24-30(31(26-29)38-2)34-36-32(27-19-14-12-15-20-27)35-33(37-34)28-21-16-13-17-22-28/h12-17,19-24,26H,3-11,18,25H2,1-2H3.
What are the key properties of 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine?
2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine has a molecular weight of 523.72 g/mol, XLogP of 9.18, 16 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dodecoxy-2-methoxyphenyl)-4,6-diphenyl-1,3,5-triazine is sourced from PubChem (CID 101057041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).