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

C141H112N10O10 — CID 164954890

IUPAC2-(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
SMILESCCCOc1cc(-c2c3ccccc3cc3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2cc3c4ccccc4ccc3c3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2cc3ccccc3c3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2ccc3cc4ccccc4cc3c2)nc(-c2ccccc2O)n1.CCCOc1cc(-c2ccc3ccc4cccc5ccc2c3c45)nc(-c2ccccc2O)n1
InChIInChI=1S/C31H24N2O2.C29H22N2O2.3C27H22N2O2/c1-2-17-35-30-19-28(32-31(33-30)25-13-7-8-14-29(25)34)27-18-26-21-10-4-3-9-20(21)15-16-24(26)22-11-5-6-12-23(22)27;1-2-16-33-26-17-24(30-29(31-26)23-8-3-4-9-25(23)32)21-14-12-20-11-10-18-6-5-7-19-13-15-22(21)28(20)27(18)19;1-2-15-31-25-17-23(28-27(29-25)22-13-7-8-14-24(22)30)26-20-11-5-3-9-18(20)16-19-10-4-6-12-21(19)26;1-2-15-31-26-17-24(28-27(29-26)22-13-7-8-14-25(22)30)23-16-18-9-3-4-10-19(18)20-11-5-6-12-21(20)23;1-2-13-31-26-17-24(28-27(29-26)23-9-5-6-10-25(23)30)21-12-11-20-14-18-7-3-4-8-19(18)15-22(20)16-21/h3-16,18-19,34H,2,17H2,1H3;3-15,17,32H,2,16H2,1H3;2*3-14,16-17,30H,2,15H2,1H3;3-12,14-17,30H,2,13H2,1H3
InChIKeyBATKXLVOBKFNCA-UHFFFAOYSA-N
MW2106.51 g/mol
LogP34.80
Rot. Bonds25

About 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

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 (PubChem CID 164954890) has the molecular formula C141H112N10O10 and a molecular weight of 2106.51 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-(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
PubChem CID164954890
Molecular FormulaC141H112N10O10
Molecular Weight2106.51 g/mol
Exact Mass2104.86
IUPAC Name2-(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
SMILESCCCOc1cc(-c2c3ccccc3cc3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2cc3c4ccccc4ccc3c3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2cc3ccccc3c3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2ccc3cc4ccccc4cc3c2)nc(-c2ccccc2O)n1.CCCOc1cc(-c2ccc3ccc4cccc5ccc2c3c45)nc(-c2ccccc2O)n1
InChIInChI=1S/C31H24N2O2.C29H22N2O2.3C27H22N2O2/c1-2-17-35-30-19-28(32-31(33-30)25-13-7-8-14-29(25)34)27-18-26-21-10-4-3-9-20(21)15-16-24(26)22-11-5-6-12-23(22)27;1-2-16-33-26-17-24(30-29(31-26)23-8-3-4-9-25(23)32)21-14-12-20-11-10-18-6-5-7-19-13-15-22(21)28(20)27(18)19;1-2-15-31-25-17-23(28-27(29-25)22-13-7-8-14-24(22)30)26-20-11-5-3-9-18(20)16-19-10-4-6-12-21(19)26;1-2-15-31-26-17-24(28-27(29-26)22-13-7-8-14-25(22)30)23-16-18-9-3-4-10-19(18)20-11-5-6-12-21(20)23;1-2-13-31-26-17-24(28-27(29-26)23-9-5-6-10-25(23)30)21-12-11-20-14-18-7-3-4-8-19(18)15-22(20)16-21/h3-16,18-19,34H,2,17H2,1H3;3-15,17,32H,2,16H2,1H3;2*3-14,16-17,30H,2,15H2,1H3;3-12,14-17,30H,2,13H2,1H3
InChIKeyBATKXLVOBKFNCA-UHFFFAOYSA-N
XLogP34.80
TPSA276.20 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds25
Heavy Atoms161
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002106.51
LogP ≤ 534.80
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

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-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 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-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-chrysen-6-yl-6-(2-ethylhexoxy)pyrimidin-2-yl]phenol
CID 164768873
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-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]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-(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-(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
5-dodecoxy-2-(6-phenyl-2-pyren-1-ylpyrimidin-4-yl)phenol
CID 164768697
2-(4-chrysen-6-yl-6-cyclopentyloxypyrimidin-2-yl)phenol
CID 164768553
2-phenyl-4-(5-phenylnaphthalen-1-yl)-6-(6-pyren-1-ylnaphthalen-2-yl)pyrimidine
CID 170188933
2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl]phenol
CID 164768656

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCCOc1cc(-c2c3ccccc3cc3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2cc3c4ccccc4ccc3c3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2cc3ccccc3c3ccccc23)nc(-c2ccccc2O)n1.CCCOc1cc(-c2ccc3cc4ccccc4cc3c2)nc(-c2ccccc2O)n1.CCCOc1cc(-c2ccc3ccc4cccc5ccc2c3c45)nc(-c2ccccc2O)n1.
What is the InChIKey of 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?
The InChIKey is BATKXLVOBKFNCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H24N2O2.C29H22N2O2.3C27H22N2O2/c1-2-17-35-30-19-28(32-31(33-30)25-13-7-8-14-29(25)34)27-18-26-21-10-4-3-9-20(21)15-16-24(26)22-11-5-6-12-23(22)27;1-2-16-33-26-17-24(30-29(31-26)23-8-3-4-9-25(23)32)21-14-12-20-11-10-18-6-5-7-19-13-15-22(21)28(20)27(18)19;1-2-15-31-25-17-23(28-27(29-25)22-13-7-8-14-24(22)30)26-20-11-5-3-9-18(20)16-19-10-4-6-12-21(19)26;1-2-15-31-26-17-24(28-27(29-26)22-13-7-8-14-25(22)30)23-16-18-9-3-4-10-19(18)20-11-5-6-12-21(20)23;1-2-13-31-26-17-24(28-27(29-26)23-9-5-6-10-25(23)30)21-12-11-20-14-18-7-3-4-8-19(18)15-22(20)16-21/h3-16,18-19,34H,2,17H2,1H3;3-15,17,32H,2,16H2,1H3;2*3-14,16-17,30H,2,15H2,1H3;3-12,14-17,30H,2,13H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 2106.51 g/mol, XLogP of 34.80, 25 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 164954890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).