4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine

C50H32N2O — CID 171582533

IUPAC4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)oc5ccccc56)c4)nc(-c4cccc5ccccc45)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)36-19-11-20-38(27-36)46-32-47(52-50(51-46)45-23-12-18-35-17-7-8-21-42(35)45)41-29-39(34-15-5-2-6-16-34)28-40(30-41)37-25-26-44-43-22-9-10-24-48(43)53-49(44)31-37/h1-32H
InChIKeyBRDAFXSERORITD-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine

4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine (PubChem CID 171582533) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
PubChem CID171582533
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)oc5ccccc56)c4)nc(-c4cccc5ccccc45)n3)c2)cc1
InChIInChI=1S/C50H32N2O/c1-3-13-33(14-4-1)36-19-11-20-38(27-36)46-32-47(52-50(51-46)45-23-12-18-35-17-7-8-21-42(35)45)41-29-39(34-15-5-2-6-16-34)28-40(30-41)37-25-26-44-43-22-9-10-24-48(43)53-49(44)31-37/h1-32H
InChIKeyBRDAFXSERORITD-UHFFFAOYSA-N
XLogP13.53
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.82
LogP ≤ 513.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)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-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613651
2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine
CID 154613821
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171584875
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171584084
4-[3-dibenzofuran-3-yl-5-(2-naphthalen-1-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583522
2-[3-(3-dibenzofuran-3-ylphenyl)phenyl]-4,6-diphenylpyridine;2-[3-(3-naphthalen-1-ylphenyl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-phenanthren-9-ylphenyl)-2,6-diphenylpyrimidine
CID 157458923
4-(3-dibenzofuran-3-yl-5-naphthalen-1-ylphenyl)-2-naphthalen-2-yl-6-phenylpyrimidine
CID 171584547
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-1-yl-6-(4-phenylphenyl)pyrimidine
CID 130465782
4-[3-dibenzofuran-1-yl-5-(3-phenylphenyl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine
CID 171583574
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-dibenzofuran-3-yl-2-[3-(3-oxapentacyclo[11.8.0.02,10.04,9.016,21]henicosa-1(13),2(10),4(9),5,7,11,14,16,18,20-decaen-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 139447211

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine (CID 171582533) is 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccccc5)cc(-c5ccc6c(c5)oc5ccccc56)c4)nc(-c4cccc5ccccc45)n3)c2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is BRDAFXSERORITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-13-33(14-4-1)36-19-11-20-38(27-36)46-32-47(52-50(51-46)45-23-12-18-35-17-7-8-21-42(35)45)41-29-39(34-15-5-2-6-16-34)28-40(30-41)37-25-26-44-43-22-9-10-24-48(43)53-49(44)31-37/h1-32H.
What are the key properties of 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine?
4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 676.82 g/mol, XLogP of 13.53, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-3-yl-5-phenylphenyl)-2-naphthalen-1-yl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 171582533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).