1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine

C26H35N3O2 — CID 67134358

IUPAC1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine
SMILESCCCCCCOC1=C(OCc2ccccc2)C(c2ccccc2)=NN(CC)N1CC
InChIInChI=1S/C26H35N3O2/c1-4-7-8-15-20-30-26-25(31-21-22-16-11-9-12-17-22)24(23-18-13-10-14-19-23)27-29(6-3)28(26)5-2/h9-14,16-19H,4-8,15,20-21H2,1-3H3
InChIKeyLRNOPENEFDTVMW-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.95
Rot. Bonds12

About 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine

1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine (PubChem CID 67134358) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine.

Molecular Properties

Compound Name1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine
PubChem CID67134358
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine
SMILESCCCCCCOC1=C(OCc2ccccc2)C(c2ccccc2)=NN(CC)N1CC
InChIInChI=1S/C26H35N3O2/c1-4-7-8-15-20-30-26-25(31-21-22-16-11-9-12-17-22)24(23-18-13-10-14-19-23)27-29(6-3)28(26)5-2/h9-14,16-19H,4-8,15,20-21H2,1-3H3
InChIKeyLRNOPENEFDTVMW-UHFFFAOYSA-N
XLogP5.95
TPSA37.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.95
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

phenoxymethylbenzene;tetradecane
CID 175006528
2-hexadecoxy-4-phenylmethoxy-1,3,5-triazine
CID 150774956
2-(4-decoxyphenyl)-6-phenylmethoxynaphthalene
CID 139782099
butoxybenzene;1-butoxy-2-phenylmethoxybenzene;1-hexoxy-2-phenylmethoxybenzene;pentoxybenzene;1-pentoxy-2-phenylmethoxybenzene
CID 123962900
dodecylperoxymethylbenzene
CID 88509810
1-octoxy-4-[4-[4-[4-[4-[4-(4-phenylphenyl)phenyl]phenyl]phenyl]phenyl]phenyl]benzene
CID 10700210
azane;hexoxymethylbenzene
CID 174805489
2,4-bis(phenylmethoxy)-1-undecoxybenzene
CID 172808268
1-(bromomethyl)-3-decoxy-5-phenylmethoxybenzene
CID 101207544
pentoxybenzene;undecane
CID 174778179
2-hexadecoxyethoxymethylbenzene
CID 19965709
2-(2-heptoxyethoxy)ethoxymethylbenzene
CID 123339460

Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine?
The IUPAC name of 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine (CID 67134358) is 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine.
What is the SMILES notation for 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine?
The canonical SMILES for 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine is CCCCCCOC1=C(OCc2ccccc2)C(c2ccccc2)=NN(CC)N1CC.
What is the InChIKey of 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine?
The InChIKey is LRNOPENEFDTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-7-8-15-20-30-26-25(31-21-22-16-11-9-12-17-22)24(23-18-13-10-14-19-23)27-29(6-3)28(26)5-2/h9-14,16-19H,4-8,15,20-21H2,1-3H3.
What are the key properties of 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine?
1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine has a molecular weight of 421.59 g/mol, XLogP of 5.95, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-6-hexoxy-4-phenyl-5-phenylmethoxytriazine is sourced from PubChem (CID 67134358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).