2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine

C51H31N3O2 — CID 130262131

IUPAC2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-12-32(13-3-1)45-31-46(39-15-5-4-14-38(39)44-18-10-11-25-52-44)54-51(53-45)37-27-35(33-21-23-49-42(29-33)40-16-6-8-19-47(40)55-49)26-36(28-37)34-22-24-50-43(30-34)41-17-7-9-20-48(41)56-50/h1-31H
InChIKeyPZNHLWYCXQSSCA-UHFFFAOYSA-N
MW717.83 g/mol
LogP13.67
Rot. Bonds6

About 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine

2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (PubChem CID 130262131) has the molecular formula C51H31N3O2 and a molecular weight of 717.83 g/mol. Its IUPAC name is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
PubChem CID130262131
Molecular FormulaC51H31N3O2
Molecular Weight717.83 g/mol
Exact Mass717.24
IUPAC Name2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C51H31N3O2/c1-2-12-32(13-3-1)45-31-46(39-15-5-4-14-38(39)44-18-10-11-25-52-44)54-51(53-45)37-27-35(33-21-23-49-42(29-33)40-16-6-8-19-47(40)55-49)26-36(28-37)34-22-24-50-43(30-34)41-17-7-9-20-48(41)56-50/h1-31H
InChIKeyPZNHLWYCXQSSCA-UHFFFAOYSA-N
XLogP13.67
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.83
LogP ≤ 513.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 130262665
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-phenylphenyl)-6-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229
4-(4-dibenzofuran-2-ylphenyl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 130262632
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine
CID 155077872
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 159089395
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160739724
4-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]-5-dibenzofuran-2-ylphenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 153316082
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
4-(3-dibenzofuran-2-yl-5-phenylphenyl)-6-naphthalen-1-yl-2-(3-phenylphenyl)pyrimidine
CID 171583764
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine (CID 130262131) is 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3-c3ccccn3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is PZNHLWYCXQSSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O2/c1-2-12-32(13-3-1)45-31-46(39-15-5-4-14-38(39)44-18-10-11-25-52-44)54-51(53-45)37-27-35(33-21-23-49-42(29-33)40-16-6-8-19-47(40)55-49)26-36(28-37)34-22-24-50-43(30-34)41-17-7-9-20-48(41)56-50/h1-31H.
What are the key properties of 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine?
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine has a molecular weight of 717.83 g/mol, XLogP of 13.67, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 130262131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).