4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine

C48H30N2O — CID 176632775

IUPAC4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc(-c4ccccc4)n3)c3ccccc3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)39-27-37-15-7-8-16-40(37)42(29-39)45-30-44(49-48(50-45)32-13-5-2-6-14-32)38-22-21-33-25-34(19-20-35(33)26-38)36-23-24-47-43(28-36)41-17-9-10-18-46(41)51-47/h1-30H
InChIKeyDMKSZVVSKFAUOA-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

About 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine

4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632775) has the molecular formula C48H30N2O and a molecular weight of 650.78 g/mol. Its IUPAC name is 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632775
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc(-c4ccccc4)n3)c3ccccc3c2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)39-27-37-15-7-8-16-40(37)42(29-39)45-30-44(49-48(50-45)32-13-5-2-6-14-32)38-22-21-33-25-34(19-20-35(33)26-38)36-23-24-47-43(28-36)41-17-9-10-18-46(41)51-47/h1-30H
InChIKeyDMKSZVVSKFAUOA-UHFFFAOYSA-N
XLogP13.02
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500650.78
LogP ≤ 513.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171584011
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171585500
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632580
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
2-dibenzofuran-2-yl-4-(3-naphthalen-2-yl-5-phenylphenyl)-6-phenyl-1,3,5-triazine
CID 138729836
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-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
4-[3-[3-(3-dibenzofuran-2-yl-2,5-diphenylphenyl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 177079224
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583274

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine (CID 176632775) is 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2cc(-c3cc(-c4ccc5cc(-c6ccc7oc8ccccc8c7c6)ccc5c4)nc(-c4ccccc4)n3)c3ccccc3c2)cc1.
What is the InChIKey of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is DMKSZVVSKFAUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-11-31(12-4-1)39-27-37-15-7-8-16-40(37)42(29-39)45-30-44(49-48(50-45)32-13-5-2-6-14-32)38-22-21-33-25-34(19-20-35(33)26-38)36-23-24-47-43(28-36)41-17-9-10-18-46(41)51-47/h1-30H.
What are the key properties of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine?
4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine has a molecular weight of 650.78 g/mol, XLogP of 13.02, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).