4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine

C44H26N2O2 — CID 167144260

IUPAC4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)c3oc4cc5ccccc5cc4c3c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-11-27(12-4-1)32-22-36-35-21-29-15-7-8-16-30(29)24-42(35)48-43(36)37(23-32)39-26-38(45-44(46-39)28-13-5-2-6-14-28)31-19-20-34-33-17-9-10-18-40(33)47-41(34)25-31/h1-26H
InChIKeyLRRVTXFNSJCSIV-UHFFFAOYSA-N
MW614.70 g/mol
LogP12.10
Rot. Bonds4

About 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine

4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine (PubChem CID 167144260) has the molecular formula C44H26N2O2 and a molecular weight of 614.70 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine
PubChem CID167144260
Molecular FormulaC44H26N2O2
Molecular Weight614.70 g/mol
Exact Mass614.20
IUPAC Name4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)c3oc4cc5ccccc5cc4c3c2)cc1
InChIInChI=1S/C44H26N2O2/c1-3-11-27(12-4-1)32-22-36-35-21-29-15-7-8-16-30(29)24-42(35)48-43(36)37(23-32)39-26-38(45-44(46-39)28-13-5-2-6-14-28)31-19-20-34-33-17-9-10-18-40(33)47-41(34)25-31/h1-26H
InChIKeyLRRVTXFNSJCSIV-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 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)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-[6,8-di(dibenzofuran-2-yl)dibenzofuran-3-yl]-4,6-diphenyl-1,3,5-triazine
CID 137496784
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine
CID 176632775
2,4-diphenyl-6-[4-[2-[4-[2-phenyl-6-(3-phenylphenyl)pyrimidin-4-yl]phenyl]dibenzofuran-4-yl]phenyl]pyrimidine
CID 153289566
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
2,4-diphenyl-6-[7-[4-(3-phenylphenyl)dibenzofuran-2-yl]dibenzofuran-3-yl]-1,3,5-triazine
CID 170378711
2-phenyl-4-[7-(2-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-6-(3-phenylphenyl)-1,3,5-triazine
CID 170378592
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
4-[4-[6-[6-[4-dibenzofuran-4-yl-3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]dibenzofuran-3-yl]dibenzofuran-2-yl]phenyl]-6-[2,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
CID 146254883
2-dibenzofuran-3-yl-4-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2,4-dinaphthalen-1-yl-6-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-1,3,5-triazine;2-[3-[3-(6-naphtho[2,3-b][1]benzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 159392397
4-dibenzofuran-4-yl-2-[4-[8-(2-phenyl-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidin-4-yl)dibenzofuran-3-yl]phenyl]-6-spiro[fluorene-9,14'-tetracyclo[13.4.0.02,7.08,13]nonadeca-1(19),2,4,6,8(13),9,11,15,17-nonaene]-10'-ylpyrimidine
CID 163742051

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine (CID 167144260) is 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccccc4)n3)c3oc4cc5ccccc5cc4c3c2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine?
The InChIKey is LRRVTXFNSJCSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H26N2O2/c1-3-11-27(12-4-1)32-22-36-35-21-29-15-7-8-16-30(29)24-42(35)48-43(36)37(23-32)39-26-38(45-44(46-39)28-13-5-2-6-14-28)31-19-20-34-33-17-9-10-18-40(33)47-41(34)25-31/h1-26H.
What are the key properties of 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine?
4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)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 4-dibenzofuran-3-yl-2-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-4-yl)pyrimidine is sourced from PubChem (CID 167144260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).