4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine

C50H30N2OS — CID 171583346

IUPAC4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C50H30N2OS/c1-2-12-32(13-3-1)50-51-44(35-23-24-48-43(29-35)41-16-7-9-20-47(41)54-48)30-45(52-50)38-27-36(34-22-21-31-11-4-5-14-33(31)25-34)26-37(28-38)39-17-10-18-42-40-15-6-8-19-46(40)53-49(39)42/h1-30H
InChIKeyXTNMVKHRMPXBKJ-UHFFFAOYSA-N
MW706.87 g/mol
LogP14.23
Rot. Bonds5

About 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine

4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine (PubChem CID 171583346) has the molecular formula C50H30N2OS and a molecular weight of 706.87 g/mol. Its IUPAC name is 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
PubChem CID171583346
Molecular FormulaC50H30N2OS
Molecular Weight706.87 g/mol
Exact Mass706.21
IUPAC Name4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3ccc4sc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C50H30N2OS/c1-2-12-32(13-3-1)50-51-44(35-23-24-48-43(29-35)41-16-7-9-20-47(41)54-48)30-45(52-50)38-27-36(34-22-21-31-11-4-5-14-33(31)25-34)26-37(28-38)39-17-10-18-42-40-15-6-8-19-46(40)53-49(39)42/h1-30H
InChIKeyXTNMVKHRMPXBKJ-UHFFFAOYSA-N
XLogP14.23
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500706.87
LogP ≤ 514.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine 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

4-dibenzofuran-2-yl-6-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171585383
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085
2-dibenzofuran-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585439
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171583317
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-2-yl-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-4-yl-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine
CID 160847317
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-(2-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171584288
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-naphthalen-2-yl-2-phenylpyrimidine
CID 171585034
2-(3-dibenzofuran-4-yl-5-dibenzothiophen-3-ylphenyl)-4,6-dinaphthalen-2-yl-1,3,5-triazine
CID 163806979
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160528168
4-dibenzofuran-2-yl-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzofuran-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;2-(4-dibenzothiophen-2-ylphenyl)-4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-1,3,5-triazine;2-(4-dibenzothiophen-4-ylphenyl)-4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 158434773
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796

Frequently Asked Questions

What is the IUPAC name of 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
The IUPAC name of 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine (CID 171583346) is 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
The canonical SMILES for 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine is c1ccc(-c2nc(-c3cc(-c4ccc5ccccc5c4)cc(-c4cccc5c4oc4ccccc45)c3)cc(-c3ccc4sc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
The InChIKey is XTNMVKHRMPXBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2OS/c1-2-12-32(13-3-1)50-51-44(35-23-24-48-43(29-35)41-16-7-9-20-47(41)54-48)30-45(52-50)38-27-36(34-22-21-31-11-4-5-14-33(31)25-34)26-37(28-38)39-17-10-18-42-40-15-6-8-19-46(40)53-49(39)42/h1-30H.
What are the key properties of 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine?
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine has a molecular weight of 706.87 g/mol, XLogP of 14.23, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine is sourced from PubChem (CID 171583346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).