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

C136H82N8O6 — CID 158686254

IUPAC4-(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
SMILESc1ccc(-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccncc4)nc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1
InChIInChI=1S/C46H28N2O2.2C45H27N3O2/c1-3-11-29(12-4-1)30-21-23-32(24-22-30)46-47-40(31-13-5-2-6-14-31)28-41(48-46)33-25-26-35-37-17-10-19-39(45(37)50-43(35)27-33)38-18-9-16-36-34-15-7-8-20-42(34)49-44(36)38;1-2-9-28(10-3-1)29-18-20-30(21-19-29)39-26-40(32-11-8-24-46-27-32)48-45(47-39)31-22-23-34-36-14-7-16-38(44(36)50-42(34)25-31)37-15-6-13-35-33-12-4-5-17-41(33)49-43(35)37;1-2-8-28(9-3-1)29-16-18-30(19-17-29)39-27-40(31-22-24-46-25-23-31)48-45(47-39)32-20-21-34-36-12-7-14-38(44(36)50-42(34)26-32)37-13-6-11-35-33-10-4-5-15-41(33)49-43(35)37/h1-28H;2*1-27H
InChIKeyIFTVTWJXVAYDKI-UHFFFAOYSA-N
MW1924.20 g/mol
LogP36.62
Rot. Bonds15

About 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

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 (PubChem CID 158686254) has the molecular formula C136H82N8O6 and a molecular weight of 1924.20 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID158686254
Molecular FormulaC136H82N8O6
Molecular Weight1924.20 g/mol
Exact Mass1922.64
IUPAC Name4-(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
SMILESc1ccc(-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccncc4)nc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1
InChIInChI=1S/C46H28N2O2.2C45H27N3O2/c1-3-11-29(12-4-1)30-21-23-32(24-22-30)46-47-40(31-13-5-2-6-14-31)28-41(48-46)33-25-26-35-37-17-10-19-39(45(37)50-43(35)27-33)38-18-9-16-36-34-15-7-8-20-42(34)49-44(36)38;1-2-9-28(10-3-1)29-18-20-30(21-19-29)39-26-40(32-11-8-24-46-27-32)48-45(47-39)31-22-23-34-36-14-7-16-38(44(36)50-42(34)25-31)37-15-6-13-35-33-12-4-5-17-41(33)49-43(35)37;1-2-8-28(9-3-1)29-16-18-30(19-17-29)39-27-40(31-22-24-46-25-23-31)48-45(47-39)32-20-21-34-36-12-7-14-38(44(36)50-42(34)26-32)37-13-6-11-35-33-10-4-5-15-41(33)49-43(35)37/h1-28H;2*1-27H
InChIKeyIFTVTWJXVAYDKI-UHFFFAOYSA-N
XLogP36.62
TPSA181.96 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds15
Heavy Atoms150
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001924.20
LogP ≤ 536.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 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 with MolForge

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Related Compounds

4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
2-[4-(4-dibenzofuran-4-yldibenzofuran-1-yl)phenyl]-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078777
4-(6-dibenzofuran-4-yldibenzofuran-3-yl)-2-phenyl-6-(4-pyridin-2-ylphenyl)pyrimidine
CID 155377270
4-[3-dibenzofuran-4-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-pyridin-3-ylpyrimidine
CID 171585346
4-(3-dibenzofuran-4-yl-5-naphthalen-1-ylphenyl)-2-phenyl-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 171584662
2-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyridin-4-ylphenyl)pyrimidine
CID 155077740
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
4-dibenzofuran-4-yl-2-phenyl-6-(3-phenyl-5-pyridin-4-ylphenyl)pyrimidine
CID 154950185
2-[7-(2-dibenzofuran-4-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 176773450
2-dibenzofuran-3-yl-4-(2-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 168850281

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-c4cccnc4)nc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccncc4)nc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4ccc5c(c4)oc4c(-c6cccc7c6oc6ccccc67)cccc45)n3)cc2)cc1.
What is the InChIKey of 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?
The InChIKey is IFTVTWJXVAYDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2.2C45H27N3O2/c1-3-11-29(12-4-1)30-21-23-32(24-22-30)46-47-40(31-13-5-2-6-14-31)28-41(48-46)33-25-26-35-37-17-10-19-39(45(37)50-43(35)27-33)38-18-9-16-36-34-15-7-8-20-42(34)49-44(36)38;1-2-9-28(10-3-1)29-18-20-30(21-19-29)39-26-40(32-11-8-24-46-27-32)48-45(47-39)31-22-23-34-36-14-7-16-38(44(36)50-42(34)25-31)37-15-6-13-35-33-12-4-5-17-41(33)49-43(35)37;1-2-8-28(9-3-1)29-16-18-30(19-17-29)39-27-40(31-22-24-46-25-23-31)48-45(47-39)32-20-21-34-36-12-7-14-38(44(36)50-42(34)26-32)37-13-6-11-35-33-10-4-5-15-41(33)49-43(35)37/h1-28H;2*1-27H.
What are the key properties of 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?
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 has a molecular weight of 1924.20 g/mol, XLogP of 36.62, 15 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 158686254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).