4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

C56H34N2O2 — CID 164835257

IUPAC4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6oc7c8ccccc8c(-c8cccc9c8oc8ccccc89)cc7c56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C56H34N2O2/c1-3-14-35(15-4-1)39-18-11-19-40(32-39)50-34-49(57-56(58-50)38-16-5-2-6-17-38)37-30-28-36(29-31-37)41-23-13-27-52-53(41)48-33-47(42-20-7-8-22-44(42)55(48)60-52)46-25-12-24-45-43-21-9-10-26-51(43)59-54(45)46/h1-34H
InChIKeyHGGYAUDRNADBCH-UHFFFAOYSA-N
MW766.90 g/mol
LogP15.43
Rot. Bonds6

About 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 164835257) has the molecular formula C56H34N2O2 and a molecular weight of 766.90 g/mol. Its IUPAC name is 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID164835257
Molecular FormulaC56H34N2O2
Molecular Weight766.90 g/mol
Exact Mass766.26
IUPAC Name4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6oc7c8ccccc8c(-c8cccc9c8oc8ccccc89)cc7c56)cc4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/C56H34N2O2/c1-3-14-35(15-4-1)39-18-11-19-40(32-39)50-34-49(57-56(58-50)38-16-5-2-6-17-38)37-30-28-36(29-31-37)41-23-13-27-52-53(41)48-33-47(42-20-7-8-22-44(42)55(48)60-52)46-25-12-24-45-43-21-9-10-26-51(43)59-54(45)46/h1-34H
InChIKeyHGGYAUDRNADBCH-UHFFFAOYSA-N
XLogP15.43
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.90
LogP ≤ 515.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034
4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818663
2-[3-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-1-ylphenyl)phenyl]-4,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-4-ylphenyl)phenyl]-4,6-diphenylpyrimidine
CID 159915324
4-[4-(5-naphthalen-2-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835304
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
4-(4-dibenzofuran-1-ylphenyl)-6-(3-dibenzofuran-4-yl-5-phenylphenyl)-2-phenylpyrimidine
CID 171583737
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316

Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (CID 164835257) is 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is c1ccc(-c2cccc(-c3cc(-c4ccc(-c5cccc6oc7c8ccccc8c(-c8cccc9c8oc8ccccc89)cc7c56)cc4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is HGGYAUDRNADBCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N2O2/c1-3-14-35(15-4-1)39-18-11-19-40(32-39)50-34-49(57-56(58-50)38-16-5-2-6-17-38)37-30-28-36(29-31-37)41-23-13-27-52-53(41)48-33-47(42-20-7-8-22-44(42)55(48)60-52)46-25-12-24-45-43-21-9-10-26-51(43)59-54(45)46/h1-34H.
What are the key properties of 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 766.90 g/mol, XLogP of 15.43, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 164835257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).