4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine

C38H22N2O2 — CID 176818388

IUPAC4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c43)c3ccccc23)cc1
InChIInChI=1S/C38H22N2O2/c1-3-12-23(13-4-1)29-22-30-33-28(19-11-21-32(33)42-36(30)26-17-8-7-16-25(26)29)38-39-34(24-14-5-2-6-15-24)37-35(40-38)27-18-9-10-20-31(27)41-37/h1-22H
InChIKeyPJGIPEYFIRUSBL-UHFFFAOYSA-N
MW538.61 g/mol
LogP10.43
Rot. Bonds3

About 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine

4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 176818388) has the molecular formula C38H22N2O2 and a molecular weight of 538.61 g/mol. Its IUPAC name is 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
PubChem CID176818388
Molecular FormulaC38H22N2O2
Molecular Weight538.61 g/mol
Exact Mass538.17
IUPAC Name4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c43)c3ccccc23)cc1
InChIInChI=1S/C38H22N2O2/c1-3-12-23(13-4-1)29-22-30-33-28(19-11-21-32(33)42-36(30)26-17-8-7-16-25(26)29)38-39-34(24-14-5-2-6-15-24)37-35(40-38)27-18-9-10-20-31(27)41-37/h1-22H
InChIKeyPJGIPEYFIRUSBL-UHFFFAOYSA-N
XLogP10.43
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine 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-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818195
2-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176817718
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
2-dibenzofuran-1-yl-4-dibenzofuran-4-yl-6-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-1,3,5-triazine
CID 176844516
2-(6-chlorodibenzofuran-1-yl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 154978348
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-(6-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-4-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 170212173
4-(5-phenylnaphtho[1,2-b][1]benzofuran-10-yl)-2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 176818364
2-(3-dibenzofuran-4-ylphenyl)-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 129128925
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
4-[2-(6,8-diphenyldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]benzonitrile
CID 153355176
2-[8-(4,6-diphenyl-1,3,5-triazin-2-yl)dibenzofuran-4-yl]-4-(4-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 155049988

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine (CID 176818388) is 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cc3c(oc4cccc(-c5nc(-c6ccccc6)c6oc7ccccc7c6n5)c43)c3ccccc23)cc1.
What is the InChIKey of 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is PJGIPEYFIRUSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H22N2O2/c1-3-12-23(13-4-1)29-22-30-33-28(19-11-21-32(33)42-36(30)26-17-8-7-16-25(26)29)38-39-34(24-14-5-2-6-15-24)37-35(40-38)27-18-9-10-20-31(27)41-37/h1-22H.
What are the key properties of 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine?
4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 538.61 g/mol, XLogP of 10.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-(5-phenylnaphtho[1,2-b][1]benzofuran-7-yl)-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 176818388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).