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

C48H30N2O — CID 176632580

IUPAC4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5ccc6oc7ccccc7c6c5)ccc4c3)cc(-c3c(-c4ccccc4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)40-25-23-32-13-7-8-16-39(32)47(40)44-30-43(49-48(50-44)33-14-5-2-6-15-33)38-22-21-34-27-35(19-20-36(34)28-38)37-24-26-46-42(29-37)41-17-9-10-18-45(41)51-46/h1-30H
InChIKeyMLDHTPVMFSFGTP-UHFFFAOYSA-N
MW650.78 g/mol
LogP13.02
Rot. Bonds5

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

4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine (PubChem CID 176632580) 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-(2-phenylnaphthalen-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
PubChem CID176632580
Molecular FormulaC48H30N2O
Molecular Weight650.78 g/mol
Exact Mass650.24
IUPAC Name4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc4cc(-c5ccc6oc7ccccc7c6c5)ccc4c3)cc(-c3c(-c4ccccc4)ccc4ccccc34)n2)cc1
InChIInChI=1S/C48H30N2O/c1-3-11-31(12-4-1)40-25-23-32-13-7-8-16-39(32)47(40)44-30-43(49-48(50-44)33-14-5-2-6-15-33)38-22-21-34-27-35(19-20-36(34)28-38)37-24-26-46-42(29-37)41-17-9-10-18-45(41)51-46/h1-30H
InChIKeyMLDHTPVMFSFGTP-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-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine
CID 176632775
2-phenyl-4-[6-(10-phenylanthracen-9-yl)naphthalen-2-yl]-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632391
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine
CID 170294289
2-(4-benzo[a]anthracen-7-ylphenyl)-4-dibenzofuran-2-yl-6-phenylpyrimidine
CID 167252757
4-benzo[a]anthracen-7-yl-6-(3-dibenzofuran-2-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 167250398
2-[2-(4-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 170246998
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[4-(2,3,4,5-tetraphenylphenyl)phenyl]-1,3,5-triazine
CID 155441081
4-[5-dibenzofuran-2-yl-2-[7-[3-[4-[6-[2,3-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]phenyl]dibenzofuran-2-yl]phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 134250654

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine?
The IUPAC name of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine (CID 176632580) is 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine.
What is the SMILES notation for 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine?
The canonical SMILES for 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine is c1ccc(-c2nc(-c3ccc4cc(-c5ccc6oc7ccccc7c6c5)ccc4c3)cc(-c3c(-c4ccccc4)ccc4ccccc34)n2)cc1.
What is the InChIKey of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine?
The InChIKey is MLDHTPVMFSFGTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H30N2O/c1-3-11-31(12-4-1)40-25-23-32-13-7-8-16-39(32)47(40)44-30-43(49-48(50-44)33-14-5-2-6-15-33)38-22-21-34-27-35(19-20-36(34)28-38)37-24-26-46-42(29-37)41-17-9-10-18-45(41)51-46/h1-30H.
What are the key properties of 4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine?
4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-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-(2-phenylnaphthalen-1-yl)pyrimidine is sourced from PubChem (CID 176632580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).