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

C110H86N12O12 — CID 165062535

IUPAC4-(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
SMILESCCCOc1nc(-c2ccc(O)cc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2cc3ccccc3c3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1
InChIInChI=1S/C30H23N3O3.C28H21N3O3.2C26H21N3O3/c1-2-15-36-30-32-28(24-14-12-19(34)16-27(24)35)31-29(33-30)26-17-25-20-8-4-3-7-18(20)11-13-23(25)21-9-5-6-10-22(21)26;1-2-14-34-28-30-26(29-27(31-28)22-13-10-19(32)15-23(22)33)21-12-9-18-7-6-16-4-3-5-17-8-11-20(21)25(18)24(16)17;1-2-13-32-26-28-24(21-12-11-18(30)15-22(21)31)27-25(29-26)23-19-9-5-3-7-16(19)14-17-8-4-6-10-20(17)23;1-2-13-32-26-28-24(21-12-11-17(30)15-23(21)31)27-25(29-26)22-14-16-7-3-4-8-18(16)19-9-5-6-10-20(19)22/h3-14,16-17,34-35H,2,15H2,1H3;3-13,15,32-33H,2,14H2,1H3;2*3-12,14-15,30-31H,2,13H2,1H3
InChIKeyRKZAXQNAHXKQKF-UHFFFAOYSA-N
MW1767.97 g/mol
LogP24.59
Rot. Bonds20

About 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

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 (PubChem CID 165062535) has the molecular formula C110H86N12O12 and a molecular weight of 1767.97 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID165062535
Molecular FormulaC110H86N12O12
Molecular Weight1767.97 g/mol
Exact Mass1766.65
IUPAC Name4-(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
SMILESCCCOc1nc(-c2ccc(O)cc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2cc3ccccc3c3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1
InChIInChI=1S/C30H23N3O3.C28H21N3O3.2C26H21N3O3/c1-2-15-36-30-32-28(24-14-12-19(34)16-27(24)35)31-29(33-30)26-17-25-20-8-4-3-7-18(20)11-13-23(25)21-9-5-6-10-22(21)26;1-2-14-34-28-30-26(29-27(31-28)22-13-10-19(32)15-23(22)33)21-12-9-18-7-6-16-4-3-5-17-8-11-20(21)25(18)24(16)17;1-2-13-32-26-28-24(21-12-11-18(30)15-22(21)31)27-25(29-26)23-19-9-5-3-7-16(19)14-17-8-4-6-10-20(17)23;1-2-13-32-26-28-24(21-12-11-17(30)15-23(21)31)27-25(29-26)22-14-16-7-3-4-8-18(16)19-9-5-6-10-20(19)22/h3-14,16-17,34-35H,2,15H2,1H3;3-13,15,32-33H,2,14H2,1H3;2*3-12,14-15,30-31H,2,13H2,1H3
InChIKeyRKZAXQNAHXKQKF-UHFFFAOYSA-N
XLogP24.59
TPSA353.44 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds20
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001767.97
LogP ≤ 524.59
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 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 with MolForge

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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-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)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-(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-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-chrysen-6-yl-6-hexoxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768489
4-(4-methoxy-6-pyren-1-yl-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768815
2-(4-anthracen-2-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-anthracen-9-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-chrysen-6-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-phenanthren-9-yl-6-propoxypyrimidin-2-yl)phenol;2-(4-propoxy-6-pyren-1-ylpyrimidin-2-yl)phenol
CID 164954890
4-[4-anthracen-9-yl-6-(2-ethylhexoxy)-1,3,5-triazin-2-yl]benzene-1,3-diol
CID 164768801
2-(4-ethoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164768748
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOc1nc(-c2ccc(O)cc2O)nc(-c2c3ccccc3cc3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2cc3ccccc3c3ccccc23)n1.CCCOc1nc(-c2ccc(O)cc2O)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.
What is the InChIKey of 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?
The InChIKey is RKZAXQNAHXKQKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O3.C28H21N3O3.2C26H21N3O3/c1-2-15-36-30-32-28(24-14-12-19(34)16-27(24)35)31-29(33-30)26-17-25-20-8-4-3-7-18(20)11-13-23(25)21-9-5-6-10-22(21)26;1-2-14-34-28-30-26(29-27(31-28)22-13-10-19(32)15-23(22)33)21-12-9-18-7-6-16-4-3-5-17-8-11-20(21)25(18)24(16)17;1-2-13-32-26-28-24(21-12-11-18(30)15-22(21)31)27-25(29-26)23-19-9-5-3-7-16(19)14-17-8-4-6-10-20(17)23;1-2-13-32-26-28-24(21-12-11-17(30)15-23(21)31)27-25(29-26)22-14-16-7-3-4-8-18(16)19-9-5-6-10-20(19)22/h3-14,16-17,34-35H,2,15H2,1H3;3-13,15,32-33H,2,14H2,1H3;2*3-12,14-15,30-31H,2,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 1767.97 g/mol, XLogP of 24.59, 20 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165062535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).