4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine

C54H32N2O2 — CID 167349375

IUPAC4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)n4)c(-c4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C54H32N2O2/c1-3-13-35-29-37(25-23-33(35)11-1)38-27-28-44(47(31-38)39-26-24-34-12-2-4-14-36(34)30-39)54-55-48(45-19-9-17-42-40-15-5-7-21-50(40)57-52(42)45)32-49(56-54)46-20-10-18-43-41-16-6-8-22-51(41)58-53(43)46/h1-32H
InChIKeyWEJSCVHZOMOKAE-UHFFFAOYSA-N
MW740.86 g/mol
LogP14.92
Rot. Bonds5

About 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine

4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine (PubChem CID 167349375) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine
PubChem CID167349375
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine
SMILESc1ccc2cc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)n4)c(-c4ccc5ccccc5c4)c3)ccc2c1
InChIInChI=1S/C54H32N2O2/c1-3-13-35-29-37(25-23-33(35)11-1)38-27-28-44(47(31-38)39-26-24-34-12-2-4-14-36(34)30-39)54-55-48(45-19-9-17-42-40-15-5-7-21-50(40)57-52(42)45)32-49(56-54)46-20-10-18-43-41-16-6-8-22-51(41)58-53(43)46/h1-32H
InChIKeyWEJSCVHZOMOKAE-UHFFFAOYSA-N
XLogP14.92
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(4-naphthalen-2-ylphenyl)-1,3,5-triazine
CID 155480997
2-dibenzofuran-4-yl-4-(3,5-dinaphthalen-2-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465875
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-[4-(7-phenylnaphthalen-2-yl)naphthalen-1-yl]-1,3,5-triazine
CID 155481473
2,4-di(dibenzofuran-4-yl)-6-[4-phenyl-2-(3-phenylphenyl)phenyl]-1,3,5-triazine
CID 167348928
2-(2-dibenzofuran-4-ylphenyl)-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine
CID 172545450
2-dibenzofuran-4-yl-4-(2-naphthalen-2-ylphenyl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155481433
2-dibenzofuran-4-yl-4-(4-naphthalen-2-ylnaphthalen-1-yl)-6-(4-naphthalen-1-ylphenyl)-1,3,5-triazine
CID 155481498
4,6-di(dibenzofuran-4-yl)-2-(2-phenylphenyl)pyrimidine
CID 167349491
2-dibenzofuran-4-yl-5-naphthalen-2-ylpyridine
CID 171576906
2-dibenzofuran-4-yl-4-[2-(6-naphthalen-2-ylphenanthren-3-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 171732313
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583506
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583085

Frequently Asked Questions

What is the IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine?
The IUPAC name of 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine (CID 167349375) is 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine?
The canonical SMILES for 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine is c1ccc2cc(-c3ccc(-c4nc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)n4)c(-c4ccc5ccccc5c4)c3)ccc2c1.
What is the InChIKey of 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine?
The InChIKey is WEJSCVHZOMOKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-3-13-35-29-37(25-23-33(35)11-1)38-27-28-44(47(31-38)39-26-24-34-12-2-4-14-36(34)30-39)54-55-48(45-19-9-17-42-40-15-5-7-21-50(40)57-52(42)45)32-49(56-54)46-20-10-18-43-41-16-6-8-22-51(41)58-53(43)46/h1-32H.
What are the key properties of 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine?
4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine has a molecular weight of 740.86 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-di(dibenzofuran-4-yl)-2-(2,4-dinaphthalen-2-ylphenyl)pyrimidine is sourced from PubChem (CID 167349375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).