2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

C44H26N2O2 — CID 170092567

IUPAC2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8ccccc8c7)nc7c6oc6ccccc67)c5c4c3)c2)cc1
InChIInChI=1S/C44H26N2O2/c1-2-10-27(11-3-1)30-14-8-15-31(24-30)32-22-23-38-36(26-32)40-35(17-9-19-39(40)47-38)42-43-41(34-16-6-7-18-37(34)48-43)45-44(46-42)33-21-20-28-12-4-5-13-29(28)25-33/h1-26H
InChIKeyWQZZOJAGKRHGJB-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

About 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine

2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (PubChem CID 170092567) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
PubChem CID170092567
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
SMILESc1ccc(-c2cccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8ccccc8c7)nc7c6oc6ccccc67)c5c4c3)c2)cc1
InChIInChI=1S/C44H26N2O2/c1-2-10-27(11-3-1)30-14-8-15-31(24-30)32-22-23-38-36(26-32)40-35(17-9-19-39(40)47-38)42-43-41(34-16-6-7-18-37(34)48-43)45-44(46-42)33-21-20-28-12-4-5-13-29(28)25-33/h1-26H
InChIKeyWQZZOJAGKRHGJB-UHFFFAOYSA-N
XLogP12.10
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.70
LogP ≤ 512.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-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-(4-naphthalen-2-ylphenyl)-4-[7-(4-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 177129892
2-dibenzofuran-2-yl-4-(6-naphthalen-2-yldibenzofuran-1-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092620
2-phenyl-4-[6-(6-phenylnaphthalen-2-yl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine
CID 170092573
2-naphthalen-2-yl-4-[6-(8-phenyldibenzofuran-1-yl)naphthalen-2-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 166742173
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-(4-phenylphenyl)-2-[3-[3-[3-(3-phenylphenyl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 118229247
2-(3-phenylphenyl)-4-[4-[2-(3-phenylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489686
2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 134198448
2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 146647718
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4-(6-phenylnaphthalen-2-yl)-[1]benzofuro[3,2-d]pyrimidine
CID 170092511
2-[3-[3,5-bis(4-phenylphenyl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 118229336
4-(4-naphthalen-1-ylphenyl)-2-(4-naphthalen-2-ylphenyl)-[1]benzofuro[3,2-d]pyrimidine
CID 164829303

Frequently Asked Questions

What is the IUPAC name of 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The IUPAC name of 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine (CID 170092567) is 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine.
What is the SMILES notation for 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The canonical SMILES for 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is c1ccc(-c2cccc(-c3ccc4oc5cccc(-c6nc(-c7ccc8ccccc8c7)nc7c6oc6ccccc67)c5c4c3)c2)cc1.
What is the InChIKey of 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
The InChIKey is WQZZOJAGKRHGJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-2-10-27(11-3-1)30-14-8-15-31(24-30)32-22-23-38-36(26-32)40-35(17-9-19-39(40)47-38)42-43-41(34-16-6-7-18-37(34)48-43)45-44(46-42)33-21-20-28-12-4-5-13-29(28)25-33/h1-26H.
What are the key properties of 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine?
2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine has a molecular weight of 614.70 g/mol, XLogP of 12.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-naphthalen-2-yl-4-[8-(3-phenylphenyl)dibenzofuran-1-yl]-[1]benzofuro[3,2-d]pyrimidine is sourced from PubChem (CID 170092567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).