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

C120H110N12O12 — CID 165028319

IUPAC2-(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
SMILESCCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2cc3ccccc3c3ccccc23)n1.CCCCCCOc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2c(O)cccc2O)n1
InChIInChI=1S/C33H29N3O3.3C29H27N3O3/c1-2-3-4-9-19-39-33-35-31(34-32(36-33)30-28(37)15-10-16-29(30)38)27-20-26-22-12-6-5-11-21(22)17-18-25(26)23-13-7-8-14-24(23)27;1-2-3-4-9-17-35-29-31-27(30-28(32-29)26-23(33)15-10-16-24(26)34)25-21-13-7-5-11-19(21)18-20-12-6-8-14-22(20)25;1-2-3-4-9-17-35-29-31-27(30-28(32-29)26-24(33)15-10-16-25(26)34)23-18-19-11-5-6-12-20(19)21-13-7-8-14-22(21)23;1-2-3-4-7-15-35-29-31-27(30-28(32-29)26-24(33)11-8-12-25(26)34)22-14-13-21-16-19-9-5-6-10-20(19)17-23(21)18-22/h5-8,10-18,20,37-38H,2-4,9,19H2,1H3;2*5-8,10-16,18,33-34H,2-4,9,17H2,1H3;5-6,8-14,16-18,33-34H,2-4,7,15H2,1H3
InChIKeyMFYIOBKVPFXEKA-UHFFFAOYSA-N
MW1912.27 g/mol
LogP28.68
Rot. Bonds32

About 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

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 (PubChem CID 165028319) has the molecular formula C120H110N12O12 and a molecular weight of 1912.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID165028319
Molecular FormulaC120H110N12O12
Molecular Weight1912.27 g/mol
Exact Mass1910.84
IUPAC Name2-(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
SMILESCCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2cc3ccccc3c3ccccc23)n1.CCCCCCOc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2c(O)cccc2O)n1
InChIInChI=1S/C33H29N3O3.3C29H27N3O3/c1-2-3-4-9-19-39-33-35-31(34-32(36-33)30-28(37)15-10-16-29(30)38)27-20-26-22-12-6-5-11-21(22)17-18-25(26)23-13-7-8-14-24(23)27;1-2-3-4-9-17-35-29-31-27(30-28(32-29)26-23(33)15-10-16-24(26)34)25-21-13-7-5-11-19(21)18-20-12-6-8-14-22(20)25;1-2-3-4-9-17-35-29-31-27(30-28(32-29)26-24(33)15-10-16-25(26)34)23-18-19-11-5-6-12-20(19)21-13-7-8-14-22(21)23;1-2-3-4-7-15-35-29-31-27(30-28(32-29)26-24(33)11-8-12-25(26)34)22-14-13-21-16-19-9-5-6-10-20(19)17-23(21)18-22/h5-8,10-18,20,37-38H,2-4,9,19H2,1H3;2*5-8,10-16,18,33-34H,2-4,9,17H2,1H3;5-6,8-14,16-18,33-34H,2-4,7,15H2,1H3
InChIKeyMFYIOBKVPFXEKA-UHFFFAOYSA-N
XLogP28.68
TPSA353.44 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds32
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001912.27
LogP ≤ 528.68
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chrysen-6-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768489
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-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
2-(4-anthracen-2-yl-6-propoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768382
5-dodecoxy-2-(4-dodecoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768607
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
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-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-ethoxy-1,3,5-triazin-2-yl)-5-dodecoxyphenol
CID 164768811
2-chloro-4-hexoxy-6-phenanthren-9-yl-1,3,5-triazine
CID 164768282
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-dodecoxy-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)phenol
CID 164768332

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCCCCCOc1nc(-c2c(O)cccc2O)nc(-c2cc3ccccc3c3ccccc23)n1.CCCCCCOc1nc(-c2ccc3cc4ccccc4cc3c2)nc(-c2c(O)cccc2O)n1.
What is the InChIKey of 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?
The InChIKey is MFYIOBKVPFXEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H29N3O3.3C29H27N3O3/c1-2-3-4-9-19-39-33-35-31(34-32(36-33)30-28(37)15-10-16-29(30)38)27-20-26-22-12-6-5-11-21(22)17-18-25(26)23-13-7-8-14-24(23)27;1-2-3-4-9-17-35-29-31-27(30-28(32-29)26-23(33)15-10-16-24(26)34)25-21-13-7-5-11-19(21)18-20-12-6-8-14-22(20)25;1-2-3-4-9-17-35-29-31-27(30-28(32-29)26-24(33)15-10-16-25(26)34)23-18-19-11-5-6-12-20(19)21-13-7-8-14-22(21)23;1-2-3-4-7-15-35-29-31-27(30-28(32-29)26-24(33)11-8-12-25(26)34)22-14-13-21-16-19-9-5-6-10-20(19)17-23(21)18-22/h5-8,10-18,20,37-38H,2-4,9,19H2,1H3;2*5-8,10-16,18,33-34H,2-4,9,17H2,1H3;5-6,8-14,16-18,33-34H,2-4,7,15H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1912.27 g/mol, XLogP of 28.68, 32 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-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 is sourced from PubChem (CID 165028319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).