2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol

C128H122N8O12 — CID 165075787

IUPAC2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol
SMILESCC(C)Oc1cc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)nc(-c2ccccc2O)n1.CC(C)Oc1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccccc2O)n1.CCCCCCCCCCCCOc1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccccc2O)n1.CCCCCCCCCCCCOc1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccccc2O)n1
InChIInChI=1S/C35H26N2O3.2C34H38N2O3.C25H20N2O3/c1-21(2)39-33-20-29(36-35(37-33)26-14-8-9-15-30(26)38)28-19-32-34(25-13-7-6-12-24(25)28)27-17-16-23(18-31(27)40-32)22-10-4-3-5-11-22;1-2-3-4-5-6-7-8-9-10-15-22-38-33-24-29(35-34(36-33)28-17-11-13-18-30(28)37)25-20-21-27-26-16-12-14-19-31(26)39-32(27)23-25;1-2-3-4-5-6-7-8-9-10-15-22-38-33-24-29(35-34(36-33)27-17-11-13-18-30(27)37)25-20-21-32-28(23-25)26-16-12-14-19-31(26)39-32;1-15(2)29-24-14-20(26-25(27-24)19-8-3-5-9-21(19)28)16-11-12-18-17-7-4-6-10-22(17)30-23(18)13-16/h3-21,38H,1-2H3;2*11-14,16-21,23-24,37H,2-10,15,22H2,1H3;3-15,28H,1-2H3
InChIKeyUGYDYOMDIZKLLI-UHFFFAOYSA-N
MW1964.43 g/mol
LogP34.66
Rot. Bonds37

About 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol

2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol (PubChem CID 165075787) has the molecular formula C128H122N8O12 and a molecular weight of 1964.43 g/mol. Its IUPAC name is 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol
PubChem CID165075787
Molecular FormulaC128H122N8O12
Molecular Weight1964.43 g/mol
Exact Mass1962.92
IUPAC Name2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol
SMILESCC(C)Oc1cc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)nc(-c2ccccc2O)n1.CC(C)Oc1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccccc2O)n1.CCCCCCCCCCCCOc1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccccc2O)n1.CCCCCCCCCCCCOc1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccccc2O)n1
InChIInChI=1S/C35H26N2O3.2C34H38N2O3.C25H20N2O3/c1-21(2)39-33-20-29(36-35(37-33)26-14-8-9-15-30(26)38)28-19-32-34(25-13-7-6-12-24(25)28)27-17-16-23(18-31(27)40-32)22-10-4-3-5-11-22;1-2-3-4-5-6-7-8-9-10-15-22-38-33-24-29(35-34(36-33)28-17-11-13-18-30(28)37)25-20-21-27-26-16-12-14-19-31(26)39-32(27)23-25;1-2-3-4-5-6-7-8-9-10-15-22-38-33-24-29(35-34(36-33)27-17-11-13-18-30(27)37)25-20-21-32-28(23-25)26-16-12-14-19-31(26)39-32;1-15(2)29-24-14-20(26-25(27-24)19-8-3-5-9-21(19)28)16-11-12-18-17-7-4-6-10-22(17)30-23(18)13-16/h3-21,38H,1-2H3;2*11-14,16-21,23-24,37H,2-10,15,22H2,1H3;3-15,28H,1-2H3
InChIKeyUGYDYOMDIZKLLI-UHFFFAOYSA-N
XLogP34.66
TPSA273.52 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds37
Heavy Atoms148
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001964.43
LogP ≤ 534.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol with MolForge

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Related Compounds

2-[4-dodecoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol
CID 164768263
2-(4-methoxy-6-naphtho[2,3-b][1]benzofuran-3-ylpyrimidin-2-yl)phenol;2-[4-methoxy-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)pyrimidin-2-yl]phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)pyrimidin-2-yl]phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-5-ylpyrimidin-2-yl)phenol;2-(4-methylsulfanyl-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl)phenol
CID 165090111
2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-ylpyrimidin-2-yl]phenol
CID 164768656
2-(4-dibenzofuran-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-[4-methoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol
CID 165092725
2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl)phenol;2-(4-ethoxy-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl)phenol;2-[4-ethoxy-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol;2-[4-ethoxy-6-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-1,3,5-triazin-2-yl]phenol
CID 165014001
2-(4-dodecoxy-6-naphtho[2,3-b][1]benzofuran-2-yl-1,3,5-triazin-2-yl)phenol
CID 164768332
2-(4-dibenzofuran-1-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol;2-(4-dibenzofuran-4-yl-6-propan-2-yloxy-1,3,5-triazin-2-yl)phenol
CID 165000664
2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-5-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-naphtho[2,3-b][1]benzofuran-3-yl-1,3,5-triazin-2-yl]phenol;2-[4-(2-ethylhexoxy)-6-(12-oxapentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaen-9-yl)-1,3,5-triazin-2-yl]phenol
CID 165048433
2-(4-ethoxy-6-naphtho[2,1-b][1]benzofuran-9-yl-1,3,5-triazin-2-yl)phenol
CID 164768534
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
CID 139304383
4-(4-dibenzofuran-1-ylphenyl)-2,6-diphenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2,6-diphenylpyrimidine;4,6-di(dibenzofuran-3-yl)-2-phenylpyrimidine;4,6-di(dibenzofuran-4-yl)-2-phenylpyrimidine;2,4,6-tri(dibenzofuran-1-yl)pyrimidine;2,4,6-tri(dibenzofuran-2-yl)pyrimidine;2,4,6-tri(dibenzofuran-3-yl)pyrimidine;2,4,6-tri(dibenzofuran-4-yl)pyrimidine
CID 159391384
4,6-diphenyl-2-[1-(8-phenyldibenzofuran-3-yl)dibenzofuran-3-yl]pyrimidine
CID 162775240

Frequently Asked Questions

What is the IUPAC name of 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol?
The IUPAC name of 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol (CID 165075787) is 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol.
What is the SMILES notation for 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol?
The canonical SMILES for 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol is CC(C)Oc1cc(-c2cc3oc4cc(-c5ccccc5)ccc4c3c3ccccc23)nc(-c2ccccc2O)n1.CC(C)Oc1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccccc2O)n1.CCCCCCCCCCCCOc1cc(-c2ccc3c(c2)oc2ccccc23)nc(-c2ccccc2O)n1.CCCCCCCCCCCCOc1cc(-c2ccc3oc4ccccc4c3c2)nc(-c2ccccc2O)n1.
What is the InChIKey of 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol?
The InChIKey is UGYDYOMDIZKLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H26N2O3.2C34H38N2O3.C25H20N2O3/c1-21(2)39-33-20-29(36-35(37-33)26-14-8-9-15-30(26)38)28-19-32-34(25-13-7-6-12-24(25)28)27-17-16-23(18-31(27)40-32)22-10-4-3-5-11-22;1-2-3-4-5-6-7-8-9-10-15-22-38-33-24-29(35-34(36-33)28-17-11-13-18-30(28)37)25-20-21-27-26-16-12-14-19-31(26)39-32(27)23-25;1-2-3-4-5-6-7-8-9-10-15-22-38-33-24-29(35-34(36-33)27-17-11-13-18-30(27)37)25-20-21-32-28(23-25)26-16-12-14-19-31(26)39-32;1-15(2)29-24-14-20(26-25(27-24)19-8-3-5-9-21(19)28)16-11-12-18-17-7-4-6-10-22(17)30-23(18)13-16/h3-21,38H,1-2H3;2*11-14,16-21,23-24,37H,2-10,15,22H2,1H3;3-15,28H,1-2H3.
What are the key properties of 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol?
2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol has a molecular weight of 1964.43 g/mol, XLogP of 34.66, 37 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-dibenzofuran-2-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-dodecoxypyrimidin-2-yl)phenol;2-(4-dibenzofuran-3-yl-6-propan-2-yloxypyrimidin-2-yl)phenol;2-[4-(9-phenylnaphtho[2,1-b][1]benzofuran-5-yl)-6-propan-2-yloxypyrimidin-2-yl]phenol is sourced from PubChem (CID 165075787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).