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

C105H76N12O12 — CID 165073062

IUPAC2-(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
SMILESCCOc1nc(-c2c(O)cccc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCOc1nc(-c2c(O)cccc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCOc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2c(O)cccc2O)n1.COc1nc(-c2c(O)cccc2O)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1
InChIInChI=1S/C29H21N3O3.C26H17N3O3.2C25H19N3O3/c1-2-35-29-31-27(30-28(32-29)26-24(33)12-7-13-25(26)34)23-16-22-18-9-4-3-8-17(18)14-15-21(22)19-10-5-6-11-20(19)23;1-32-26-28-24(27-25(29-26)23-19(30)6-3-7-20(23)31)18-13-11-16-9-8-14-4-2-5-15-10-12-17(18)22(16)21(14)15;1-2-31-25-27-23(26-24(28-25)22-19(29)12-7-13-20(22)30)21-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)21;1-2-31-25-27-23(26-24(28-25)22-20(29)8-5-9-21(22)30)18-11-10-17-12-15-6-3-4-7-16(15)13-19(17)14-18/h3-16,33-34H,2H2,1H3;2-13,30-31H,1H3;2*3-14,29-30H,2H2,1H3
InChIKeyTVVCNONJUXHTAC-UHFFFAOYSA-N
MW1697.83 g/mol
LogP22.64
Rot. Bonds15

About 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

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 (PubChem CID 165073062) has the molecular formula C105H76N12O12 and a molecular weight of 1697.83 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID165073062
Molecular FormulaC105H76N12O12
Molecular Weight1697.83 g/mol
Exact Mass1696.57
IUPAC Name2-(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
SMILESCCOc1nc(-c2c(O)cccc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCOc1nc(-c2c(O)cccc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCOc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2c(O)cccc2O)n1.COc1nc(-c2c(O)cccc2O)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1
InChIInChI=1S/C29H21N3O3.C26H17N3O3.2C25H19N3O3/c1-2-35-29-31-27(30-28(32-29)26-24(33)12-7-13-25(26)34)23-16-22-18-9-4-3-8-17(18)14-15-21(22)19-10-5-6-11-20(19)23;1-32-26-28-24(27-25(29-26)23-19(30)6-3-7-20(23)31)18-13-11-16-9-8-14-4-2-5-15-10-12-17(18)22(16)21(14)15;1-2-31-25-27-23(26-24(28-25)22-19(29)12-7-13-20(22)30)21-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)21;1-2-31-25-27-23(26-24(28-25)22-20(29)8-5-9-21(22)30)18-11-10-17-12-15-6-3-4-7-16(15)13-19(17)14-18/h3-16,33-34H,2H2,1H3;2-13,30-31H,1H3;2*3-14,29-30H,2H2,1H3
InChIKeyTVVCNONJUXHTAC-UHFFFAOYSA-N
XLogP22.64
TPSA353.44 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds15
Heavy Atoms129
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001697.83
LogP ≤ 522.64
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

2-(4-anthracen-2-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-anthracen-9-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)-5-methoxyphenol;5-methoxy-2-(4-methoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol;5-methoxy-2-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)phenol
CID 165083326
2-(4-anthracen-2-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-anthracen-9-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-chrysen-6-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-hexoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165028319
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
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]benzene-1,3,5-triol;2-[4-chrysen-6-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3,5-triol;2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol;2-(4-dodecoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164970896
2-(4-anthracen-9-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-chrysen-6-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-cyclopentyloxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3-diol;2-(4-cyclopentyloxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 165013526
2-(4-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164768650
2-(4-anthracen-9-yl-6-ethoxy-1,3,5-triazin-2-yl)-5-ethoxyphenol
CID 164768740
2-[4-anthracen-2-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]-5-(2-ethylhexoxy)phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-phenanthren-9-yl-1,3,5-triazin-2-yl]phenol;5-dodecoxy-2-[4-(2-ethylhexoxy)-6-pyren-1-yl-1,3,5-triazin-2-yl]phenol
CID 165067142
2-(4-anthracen-2-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768382
2-(4-ethoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164768748
2-(4-chrysen-6-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768489

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCOc1nc(-c2c(O)cccc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCOc1nc(-c2c(O)cccc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCOc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2c(O)cccc2O)n1.COc1nc(-c2c(O)cccc2O)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.
What is the InChIKey of 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?
The InChIKey is TVVCNONJUXHTAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21N3O3.C26H17N3O3.2C25H19N3O3/c1-2-35-29-31-27(30-28(32-29)26-24(33)12-7-13-25(26)34)23-16-22-18-9-4-3-8-17(18)14-15-21(22)19-10-5-6-11-20(19)23;1-32-26-28-24(27-25(29-26)23-19(30)6-3-7-20(23)31)18-13-11-16-9-8-14-4-2-5-15-10-12-17(18)22(16)21(14)15;1-2-31-25-27-23(26-24(28-25)22-19(29)12-7-13-20(22)30)21-17-10-5-3-8-15(17)14-16-9-4-6-11-18(16)21;1-2-31-25-27-23(26-24(28-25)22-20(29)8-5-9-21(22)30)18-11-10-17-12-15-6-3-4-7-16(15)13-19(17)14-18/h3-16,33-34H,2H2,1H3;2-13,30-31H,1H3;2*3-14,29-30H,2H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1697.83 g/mol, XLogP of 22.64, 15 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165073062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).