2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

C28H15ClN2O2 — CID 154978348

IUPAC2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1cccc2c1oc1cccc(-c3nc(-c4ccccc4)c4oc5ccccc5c4n3)c12
InChIInChI=1S/C28H15ClN2O2/c29-20-13-6-11-18-23-19(12-7-15-22(23)33-26(18)20)28-30-24(16-8-2-1-3-9-16)27-25(31-28)17-10-4-5-14-21(17)32-27/h1-15H
InChIKeyVAUUJAZNXMEANG-UHFFFAOYSA-N
MW446.89 g/mol
LogP8.26
Rot. Bonds2

About 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine

2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 154978348) has the molecular formula C28H15ClN2O2 and a molecular weight of 446.89 g/mol. Its IUPAC name is 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
PubChem CID154978348
Molecular FormulaC28H15ClN2O2
Molecular Weight446.89 g/mol
Exact Mass446.08
IUPAC Name2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
SMILESClc1cccc2c1oc1cccc(-c3nc(-c4ccccc4)c4oc5ccccc5c4n3)c12
InChIInChI=1S/C28H15ClN2O2/c29-20-13-6-11-18-23-19(12-7-15-22(23)33-26(18)20)28-30-24(16-8-2-1-3-9-16)27-25(31-28)17-10-4-5-14-21(17)32-27/h1-15H
InChIKeyVAUUJAZNXMEANG-UHFFFAOYSA-N
XLogP8.26
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.89
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[6-(4-dibenzofuran-4-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-1-yl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978730
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388
4-[9-(4-dibenzofuran-1-yl-6-phenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146952352
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-6-triphenylen-1-yl-1,3,5-triazine
CID 147180477
2-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 153309581
2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818195
4-[4-[9-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-3-yl]phenyl]-2-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 153309273
2-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170212173
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670

Frequently Asked Questions

What is the IUPAC name of 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine (CID 154978348) is 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is Clc1cccc2c1oc1cccc(-c3nc(-c4ccccc4)c4oc5ccccc5c4n3)c12.
What is the InChIKey of 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is VAUUJAZNXMEANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H15ClN2O2/c29-20-13-6-11-18-23-19(12-7-15-22(23)33-26(18)20)28-30-24(16-8-2-1-3-9-16)27-25(31-28)17-10-4-5-14-21(17)32-27/h1-15H.
What are the key properties of 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine?
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 446.89 g/mol, XLogP of 8.26, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 154978348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).