2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol

C27H23N3O3 — CID 164768740

IUPAC2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(OCC)nc(-c3c4ccccc4cc4ccccc34)n2)c(O)c1
InChIInChI=1S/C27H23N3O3/c1-3-32-19-13-14-22(23(31)16-19)25-28-26(30-27(29-25)33-4-2)24-20-11-7-5-9-17(20)15-18-10-6-8-12-21(18)24/h5-16,31H,3-4H2,1-2H3
InChIKeyCKDMQKQSCNQUPY-UHFFFAOYSA-N
MW437.50 g/mol
LogP6.01
Rot. Bonds6

About 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol

2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol (PubChem CID 164768740) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol.

Molecular Properties

Compound Name2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
PubChem CID164768740
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
SMILESCCOc1ccc(-c2nc(OCC)nc(-c3c4ccccc4cc4ccccc34)n2)c(O)c1
InChIInChI=1S/C27H23N3O3/c1-3-32-19-13-14-22(23(31)16-19)25-28-26(30-27(29-25)33-4-2)24-20-11-7-5-9-17(20)15-18-10-6-8-12-21(18)24/h5-16,31H,3-4H2,1-2H3
InChIKeyCKDMQKQSCNQUPY-UHFFFAOYSA-N
XLogP6.01
TPSA77.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

4-(4-anthracen-9-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768390
2-(4-ethoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164768748
2-[4-butoxy-6-(4-ethoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-ethoxyphenol
CID 135597459
5-ethoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol
CID 164768338
4-[4-anthracen-9-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 164768801
5-ethoxy-2-[4-(4-ethoxy-2-hydroxyphenyl)-6-(2-methoxyethoxy)-1,3,5-triazin-2-yl]phenol
CID 135597465
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-dodecoxyphenol
CID 164768811
2-(4-anthracen-2-yl-6-ethoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-chrysen-6-yl-6-ethoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165073062
4-(4-anthracen-9-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;4-(4-chrysen-6-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;4-(4-phenanthren-9-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;4-(4-propoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165062535
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-ethoxyphenol;5-ethoxy-2-(4-ethoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
CID 165071742
2,4,6-tri(anthracen-9-yl)-1,3,5-triazine
CID 59336460

Frequently Asked Questions

What is the IUPAC name of 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol?
The IUPAC name of 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol (CID 164768740) is 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol.
What is the SMILES notation for 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol?
The canonical SMILES for 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol is CCOc1ccc(-c2nc(OCC)nc(-c3c4ccccc4cc4ccccc34)n2)c(O)c1.
What is the InChIKey of 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol?
The InChIKey is CKDMQKQSCNQUPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-3-32-19-13-14-22(23(31)16-19)25-28-26(30-27(29-25)33-4-2)24-20-11-7-5-9-17(20)15-18-10-6-8-12-21(18)24/h5-16,31H,3-4H2,1-2H3.
What are the key properties of 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol?
2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol has a molecular weight of 437.50 g/mol, XLogP of 6.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol is sourced from PubChem (CID 164768740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).