4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine

C45H27N3O2 — CID 154949936

IUPAC4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-8-29(9-3-1)45-47-39(31-15-17-44-38(26-31)36-11-5-7-13-42(36)50-44)27-40(48-45)34-23-32(28-18-20-46-21-19-28)22-33(24-34)30-14-16-43-37(25-30)35-10-4-6-12-41(35)49-43/h1-27H
InChIKeyWIPZVKABEQERSY-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

About 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine

4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine (PubChem CID 154949936) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
PubChem CID154949936
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine
SMILESc1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3ccc4oc5ccccc5c4c3)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-8-29(9-3-1)45-47-39(31-15-17-44-38(26-31)36-11-5-7-13-42(36)50-44)27-40(48-45)34-23-32(28-18-20-46-21-19-28)22-33(24-34)30-14-16-43-37(25-30)35-10-4-6-12-41(35)49-43/h1-27H
InChIKeyWIPZVKABEQERSY-UHFFFAOYSA-N
XLogP12.01
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500641.73
LogP ≤ 512.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 130262793
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 171582598
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-[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-phenylphenyl)-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171583494
2-dibenzofuran-2-yl-4,6-bis(3,5-diphenylphenyl)pyrimidine
CID 153316090
4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
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-(3,5-dipyridin-2-ylphenyl)-2-phenylpyrimidine
CID 171585229
4-(3-bromo-5-dibenzofuran-2-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 147753692
4-dibenzofuran-2-yl-6-[3-(9,9-dimethylfluoren-3-yl)-5-(4-pyridin-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 154950154

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine (CID 154949936) is 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine is c1ccc(-c2nc(-c3cc(-c4ccncc4)cc(-c4ccc5oc6ccccc6c5c4)c3)cc(-c3ccc4oc5ccccc5c4c3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine?
The InChIKey is WIPZVKABEQERSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-2-8-29(9-3-1)45-47-39(31-15-17-44-38(26-31)36-11-5-7-13-42(36)50-44)27-40(48-45)34-23-32(28-18-20-46-21-19-28)22-33(24-34)30-14-16-43-37(25-30)35-10-4-6-12-41(35)49-43/h1-27H.
What are the key properties of 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine?
4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine has a molecular weight of 641.73 g/mol, XLogP of 12.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-(3-dibenzofuran-2-yl-5-pyridin-4-ylphenyl)-2-phenylpyrimidine is sourced from PubChem (CID 154949936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).