4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine

C52H34N2O2 — CID 164945015

IUPAC4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
SMILESC1=CC(c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccc4)n3)c2)=CCC1
InChIInChI=1S/C52H34N2O2/c1-3-11-33(12-4-1)39-27-40(38-24-26-51-45(31-38)43-16-8-10-18-49(43)56-51)29-41(28-39)47-32-46(53-52(54-47)36-13-5-2-6-14-36)35-21-19-34(20-22-35)37-23-25-50-44(30-37)42-15-7-9-17-48(42)55-50/h2-3,5-32H,1,4H2
InChIKeyMLBKGWVUERTEOV-UHFFFAOYSA-N
MW718.86 g/mol
LogP14.34
Rot. Bonds6

About 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine

4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine (PubChem CID 164945015) has the molecular formula C52H34N2O2 and a molecular weight of 718.86 g/mol. Its IUPAC name is 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
PubChem CID164945015
Molecular FormulaC52H34N2O2
Molecular Weight718.86 g/mol
Exact Mass718.26
IUPAC Name4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine
SMILESC1=CC(c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccc4)n3)c2)=CCC1
InChIInChI=1S/C52H34N2O2/c1-3-11-33(12-4-1)39-27-40(38-24-26-51-45(31-38)43-16-8-10-18-49(43)56-51)29-41(28-39)47-32-46(53-52(54-47)36-13-5-2-6-14-36)35-21-19-34(20-22-35)37-23-25-50-44(30-37)42-15-7-9-17-48(42)55-50/h2-3,5-32H,1,4H2
InChIKeyMLBKGWVUERTEOV-UHFFFAOYSA-N
XLogP14.34
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500718.86
LogP ≤ 514.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-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-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-dibenzofuran-2-yl-2,6-bis(3,5-diphenylphenyl)pyridine;2-[3-(4-dibenzofuran-2-ylphenyl)-5-(4,6-diphenylpyrimidin-2-yl)phenyl]-4,6-diphenylpyrimidine;4-[3-(4-dibenzofuran-2-ylphenyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-2,6-diphenylpyrimidine
CID 159186789
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130262495
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
CID 154949936
2-cyclohexa-1,5-dien-1-yl-4-phenyl-6-[8-[3-phenyl-5-(3-phenylphenyl)phenyl]dibenzofuran-1-yl]-1,3,5-triazine
CID 134199069
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 177079279

Frequently Asked Questions

What is the IUPAC name of 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine (CID 164945015) is 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine is C1=CC(c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3cc(-c4ccc(-c5ccc6oc7ccccc7c6c5)cc4)nc(-c4ccccc4)n3)c2)=CCC1.
What is the InChIKey of 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine?
The InChIKey is MLBKGWVUERTEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H34N2O2/c1-3-11-33(12-4-1)39-27-40(38-24-26-51-45(31-38)43-16-8-10-18-49(43)56-51)29-41(28-39)47-32-46(53-52(54-47)36-13-5-2-6-14-36)35-21-19-34(20-22-35)37-23-25-50-44(30-37)42-15-7-9-17-48(42)55-50/h2-3,5-32H,1,4H2.
What are the key properties of 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine?
4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine has a molecular weight of 718.86 g/mol, XLogP of 14.34, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclohexa-1,5-dien-1-yl-5-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-2-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 164945015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).