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

C118H94N12O12 — CID 165013526

IUPAC2-(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
SMILESOc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2c3ccccc3cc3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2cc3ccccc3c3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1
InChIInChI=1S/C32H25N3O3.C30H23N3O3.2C28H23N3O3/c36-27-14-7-15-28(37)29(27)31-33-30(34-32(35-31)38-20-9-2-3-10-20)26-18-25-21-11-4-1-8-19(21)16-17-24(25)22-12-5-6-13-23(22)26;34-23-9-4-10-24(35)27(23)29-31-28(32-30(33-29)36-20-7-1-2-8-20)22-16-14-19-12-11-17-5-3-6-18-13-15-21(22)26(19)25(17)18;32-22-14-7-15-23(33)25(22)27-29-26(30-28(31-27)34-19-10-3-4-11-19)24-20-12-5-1-8-17(20)16-18-9-2-6-13-21(18)24;32-23-14-7-15-24(33)25(23)27-29-26(30-28(31-27)34-18-9-2-3-10-18)22-16-17-8-1-4-11-19(17)20-12-5-6-13-21(20)22/h1,4-8,11-18,20,36-37H,2-3,9-10H2;3-6,9-16,20,34-35H,1-2,7-8H2;1-2,5-9,12-16,19,32-33H,3-4,10-11H2;1,4-8,11-16,18,32-33H,2-3,9-10H2
InChIKeyKBDRHUKQMRVNQO-UHFFFAOYSA-N
MW1872.12 g/mol
LogP26.72
Rot. Bonds16

About 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

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 (PubChem CID 165013526) has the molecular formula C118H94N12O12 and a molecular weight of 1872.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID165013526
Molecular FormulaC118H94N12O12
Molecular Weight1872.12 g/mol
Exact Mass1870.71
IUPAC Name2-(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
SMILESOc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2c3ccccc3cc3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2cc3ccccc3c3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1
InChIInChI=1S/C32H25N3O3.C30H23N3O3.2C28H23N3O3/c36-27-14-7-15-28(37)29(27)31-33-30(34-32(35-31)38-20-9-2-3-10-20)26-18-25-21-11-4-1-8-19(21)16-17-24(25)22-12-5-6-13-23(22)26;34-23-9-4-10-24(35)27(23)29-31-28(32-30(33-29)36-20-7-1-2-8-20)22-16-14-19-12-11-17-5-3-6-18-13-15-21(22)26(19)25(17)18;32-22-14-7-15-23(33)25(22)27-29-26(30-28(31-27)34-19-10-3-4-11-19)24-20-12-5-1-8-17(20)16-18-9-2-6-13-21(18)24;32-23-14-7-15-24(33)25(23)27-29-26(30-28(31-27)34-18-9-2-3-10-18)22-16-17-8-1-4-11-19(17)20-12-5-6-13-21(20)22/h1,4-8,11-18,20,36-37H,2-3,9-10H2;3-6,9-16,20,34-35H,1-2,7-8H2;1-2,5-9,12-16,19,32-33H,3-4,10-11H2;1,4-8,11-16,18,32-33H,2-3,9-10H2
InChIKeyKBDRHUKQMRVNQO-UHFFFAOYSA-N
XLogP26.72
TPSA353.44 Ų
H-Bond Donors8
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001872.12
LogP ≤ 526.72
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-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 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;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-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-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-cyclopentyloxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)-5-(2-ethylhexoxy)benzene-1,3-diol
CID 164768665
2-(4-chrysen-6-yl-6-cyclopentyloxypyrimidin-2-yl)phenol
CID 164768553
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-chrysen-6-yl-6-methoxy-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164768650
4-(4-anthracen-2-yl-6-cyclopentyloxy-1,3,5-triazin-2-yl)benzene-1,3-diol
CID 164768260
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
2-(4-ethoxy-6-phenanthren-9-yl-1,3,5-triazin-2-yl)benzene-1,3,5-triol
CID 164768748

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2c3ccccc3cc3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2cc3c4ccccc4ccc3c3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2cc3ccccc3c3ccccc23)n1.Oc1cccc(O)c1-c1nc(OC2CCCC2)nc(-c2ccc3ccc4cccc5ccc2c3c45)n1.
What is the InChIKey of 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?
The InChIKey is KBDRHUKQMRVNQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25N3O3.C30H23N3O3.2C28H23N3O3/c36-27-14-7-15-28(37)29(27)31-33-30(34-32(35-31)38-20-9-2-3-10-20)26-18-25-21-11-4-1-8-19(21)16-17-24(25)22-12-5-6-13-23(22)26;34-23-9-4-10-24(35)27(23)29-31-28(32-30(33-29)36-20-7-1-2-8-20)22-16-14-19-12-11-17-5-3-6-18-13-15-21(22)26(19)25(17)18;32-22-14-7-15-23(33)25(22)27-29-26(30-28(31-27)34-19-10-3-4-11-19)24-20-12-5-1-8-17(20)16-18-9-2-6-13-21(18)24;32-23-14-7-15-24(33)25(23)27-29-26(30-28(31-27)34-18-9-2-3-10-18)22-16-17-8-1-4-11-19(17)20-12-5-6-13-21(20)22/h1,4-8,11-18,20,36-37H,2-3,9-10H2;3-6,9-16,20,34-35H,1-2,7-8H2;1-2,5-9,12-16,19,32-33H,3-4,10-11H2;1,4-8,11-16,18,32-33H,2-3,9-10H2.
What are the key properties of 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?
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 has a molecular weight of 1872.12 g/mol, XLogP of 26.72, 16 rotatable bonds, 8 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 165013526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).