4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine

C45H27N3O2 — CID 155377270

IUPAC4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-10-30(11-3-1)45-47-39(29-21-19-28(20-22-29)38-17-6-7-25-46-38)27-40(48-45)31-23-24-33-35-14-9-16-37(44(35)50-42(33)26-31)36-15-8-13-34-32-12-4-5-18-41(32)49-43(34)36/h1-27H
InChIKeyGIBTZPWRUHVCRD-UHFFFAOYSA-N
MW641.73 g/mol
LogP12.01
Rot. Bonds5

About 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine

4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine (PubChem CID 155377270) has the molecular formula C45H27N3O2 and a molecular weight of 641.73 g/mol. Its IUPAC name is 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
PubChem CID155377270
Molecular FormulaC45H27N3O2
Molecular Weight641.73 g/mol
Exact Mass641.21
IUPAC Name4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1
InChIInChI=1S/C45H27N3O2/c1-2-10-30(11-3-1)45-47-39(29-21-19-28(20-22-29)38-17-6-7-25-46-38)27-40(48-45)31-23-24-33-35-14-9-16-37(44(35)50-42(33)26-31)36-15-8-13-34-32-12-4-5-18-41(32)49-43(34)36/h1-27H
InChIKeyGIBTZPWRUHVCRD-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-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155079198
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
4-(4-dibenzofuran-3-yldibenzofuran-1-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155077811
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(3-pyridin-2-ylphenyl)pyrimidine
CID 155079153
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-(16-oxahexacyclo[12.11.0.02,7.08,13.015,23.017,22]pentacosa-1(14),2(7),3,5,8,10,12,15(23),17,19,21,24-dodecaen-5-yl)-6-phenyl-2-(4-pyridin-2-ylphenyl)pyrimidine
CID 147189699
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-6-phenyl-2-(4-phenylphenyl)pyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-3-ylpyrimidine;2-(6-dibenzofuran-4-yldibenzofuran-3-yl)-4-(4-phenylphenyl)-6-pyridin-4-ylpyrimidine
CID 158686254
4,6-bis(4-dibenzofuran-3-ylphenyl)-2-phenylpyrimidine;4,6-bis(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidine;2,4,6-tris(4-dibenzofuran-4-ylphenyl)pyrimidine
CID 162075982
2-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)phenyl]-4-phenyl-6-(2-phenylphenyl)pyrimidine;4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[4-(6-dibenzofuran-4-yldibenzofuran-3-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;2,4-diphenyl-6-[6-(6-phenyldibenzofuran-4-yl)dibenzofuran-3-yl]-1,3,5-triazine
CID 158797660
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834

Frequently Asked Questions

What is the IUPAC name of 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The IUPAC name of 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine (CID 155377270) is 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The canonical SMILES for 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine is c1ccc(-c2nc(-c3ccc(-c4ccccn4)cc3)cc(-c3ccc4c(c3)oc3c(-c5cccc6c5oc5ccccc56)cccc34)n2)cc1.
What is the InChIKey of 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
The InChIKey is GIBTZPWRUHVCRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H27N3O2/c1-2-10-30(11-3-1)45-47-39(29-21-19-28(20-22-29)38-17-6-7-25-46-38)27-40(48-45)31-23-24-33-35-14-9-16-37(44(35)50-42(33)26-31)36-15-8-13-34-32-12-4-5-18-41(32)49-43(34)36/h1-27H.
What are the key properties of 4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine?
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine 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-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine is sourced from PubChem (CID 155377270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).