2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol

C35H25N3O2 — CID 140874084

IUPAC2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
SMILESCC(c1ccccc1)(c1cccc(-c2nc(-c3ccccc3O)nc3c2oc2ccccc23)c1)c1ccccn1
InChIInChI=1S/C35H25N3O2/c1-35(24-13-3-2-4-14-24,30-20-9-10-21-36-30)25-15-11-12-23(22-25)31-33-32(27-17-6-8-19-29(27)40-33)38-34(37-31)26-16-5-7-18-28(26)39/h2-22,39H,1H3
InChIKeyMSTWWZYPCZHDRY-UHFFFAOYSA-N
MW519.60 g/mol
LogP8.16
Rot. Bonds5

About 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol

2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol (PubChem CID 140874084) has the molecular formula C35H25N3O2 and a molecular weight of 519.60 g/mol. Its IUPAC name is 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol.

Molecular Properties

Compound Name2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
PubChem CID140874084
Molecular FormulaC35H25N3O2
Molecular Weight519.60 g/mol
Exact Mass519.19
IUPAC Name2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
SMILESCC(c1ccccc1)(c1cccc(-c2nc(-c3ccccc3O)nc3c2oc2ccccc23)c1)c1ccccn1
InChIInChI=1S/C35H25N3O2/c1-35(24-13-3-2-4-14-24,30-20-9-10-21-36-30)25-15-11-12-23(22-25)31-33-32(27-17-6-8-19-29(27)40-33)38-34(37-31)26-16-5-7-18-28(26)39/h2-22,39H,1H3
InChIKeyMSTWWZYPCZHDRY-UHFFFAOYSA-N
XLogP8.16
TPSA72.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.60
LogP ≤ 58.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[3-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873721
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818388
2-[4-[3-(2-methylpropyl)-5-[naphthalen-1-yl(pyridin-2-yl)amino]phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140873898
2-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817718
2-(3-phenylphenyl)-4-[2-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489845
4-(3-phenylphenyl)-2-[4-[4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489637
2-(4-phenylphenyl)-4-[3-[3-[3-[3-[2-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489746
2-[3-[3-(3,5-diphenylphenyl)phenyl]phenyl]-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 118229286
2-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818195
2,4-ditert-butyl-6-[4-[3-(2,4,6-trimethyl-N-pyridin-2-ylanilino)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol
CID 140874072
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978348

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
The IUPAC name of 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol (CID 140874084) is 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol.
What is the SMILES notation for 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
The canonical SMILES for 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol is CC(c1ccccc1)(c1cccc(-c2nc(-c3ccccc3O)nc3c2oc2ccccc23)c1)c1ccccn1.
What is the InChIKey of 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
The InChIKey is MSTWWZYPCZHDRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H25N3O2/c1-35(24-13-3-2-4-14-24,30-20-9-10-21-36-30)25-15-11-12-23(22-25)31-33-32(27-17-6-8-19-29(27)40-33)38-34(37-31)26-16-5-7-18-28(26)39/h2-22,39H,1H3.
What are the key properties of 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol?
2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol has a molecular weight of 519.60 g/mol, XLogP of 8.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1-phenyl-1-pyridin-2-ylethyl)phenyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]phenol is sourced from PubChem (CID 140874084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).