2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine

C50H32N2O — CID 170246998

IUPAC2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4c(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-3-11-33(12-4-1)35-21-26-39(27-22-35)45-32-44(38-14-5-2-6-15-38)51-50(52-45)49-42(29-30-47-48(49)43-17-9-10-18-46(43)53-47)37-24-19-36(20-25-37)41-28-23-34-13-7-8-16-40(34)31-41/h1-32H
InChIKeyZJRBYFXQCQWYSN-UHFFFAOYSA-N
MW676.82 g/mol
LogP13.53
Rot. Bonds6

About 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine

2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 170246998) has the molecular formula C50H32N2O and a molecular weight of 676.82 g/mol. Its IUPAC name is 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID170246998
Molecular FormulaC50H32N2O
Molecular Weight676.82 g/mol
Exact Mass676.25
IUPAC Name2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4c(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc5oc6ccccc6c45)n3)cc2)cc1
InChIInChI=1S/C50H32N2O/c1-3-11-33(12-4-1)35-21-26-39(27-22-35)45-32-44(38-14-5-2-6-15-38)51-50(52-45)49-42(29-30-47-48(49)43-17-9-10-18-46(43)53-47)37-24-19-36(20-25-37)41-28-23-34-13-7-8-16-40(34)31-41/h1-32H
InChIKeyZJRBYFXQCQWYSN-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 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-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-naphthalen-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166742408
2-naphthalen-2-yl-4-phenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741483
2-phenanthren-2-yl-4-phenyl-6-[2-(4-phenylphenyl)dibenzofuran-1-yl]-1,3,5-triazine
CID 166741406
2-naphthalen-2-yl-4-phenyl-6-[1-(6-phenylnaphthalen-2-yl)dibenzofuran-2-yl]-1,3,5-triazine
CID 163653922
2-dibenzofuran-1-yl-4-(2-naphthalen-2-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743045
2-naphthalen-2-yl-4-(1-phenyldibenzofuran-2-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176616808
2-(3-naphthalen-2-yldibenzofuran-1-yl)-4,6-diphenylpyrimidine
CID 167402692
2-dibenzofuran-2-yl-4-phenanthren-2-yl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166741485
2,4-diphenyl-6-(2-phenyldibenzofuran-1-yl)-1,3,5-triazine
CID 166742294
4-(3-dibenzofuran-1-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171584041
4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632580
2-(4-naphthalen-1-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-(4-naphthalen-2-ylphenyl)-4-phenyl-6-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-1,3,5-triazine;2-phenyl-4-(2-phenylnaphtho[2,3-b][1]benzofuran-1-yl)-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 165071346

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine (CID 170246998) is 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4c(-c5ccc(-c6ccc7ccccc7c6)cc5)ccc5oc6ccccc6c45)n3)cc2)cc1.
What is the InChIKey of 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is ZJRBYFXQCQWYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N2O/c1-3-11-33(12-4-1)35-21-26-39(27-22-35)45-32-44(38-14-5-2-6-15-38)51-50(52-45)49-42(29-30-47-48(49)43-17-9-10-18-46(43)53-47)37-24-19-36(20-25-37)41-28-23-34-13-7-8-16-40(34)31-41/h1-32H.
What are the key properties of 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine?
2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-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 2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 170246998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).