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

C50H30N2O2 — CID 176818663

IUPAC4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C50H30N2O2/c1-3-12-31(13-4-1)36-19-11-21-46-48(36)42-29-41(37-16-7-8-18-40(37)49(42)54-46)32-22-24-33(25-23-32)43-30-44(52-50(51-43)34-14-5-2-6-15-34)35-26-27-39-38-17-9-10-20-45(38)53-47(39)28-35/h1-30H
InChIKeyUFXIPARQIUCIBE-UHFFFAOYSA-N
MW690.80 g/mol
LogP13.76
Rot. Bonds5

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

4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (PubChem CID 176818663) has the molecular formula C50H30N2O2 and a molecular weight of 690.80 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
PubChem CID176818663
Molecular FormulaC50H30N2O2
Molecular Weight690.80 g/mol
Exact Mass690.23
IUPAC Name4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2nc(-c3ccc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1
InChIInChI=1S/C50H30N2O2/c1-3-12-31(13-4-1)36-19-11-21-46-48(36)42-29-41(37-16-7-8-18-40(37)49(42)54-46)32-22-24-33(25-23-32)43-30-44(52-50(51-43)34-14-5-2-6-15-34)35-26-27-39-38-17-9-10-20-45(38)53-47(39)28-35/h1-30H
InChIKeyUFXIPARQIUCIBE-UHFFFAOYSA-N
XLogP13.76
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500690.80
LogP ≤ 513.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818034
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
4-[4-(7-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-2,6-bis(4-phenylphenyl)pyrimidine
CID 164835215
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316
2,4-diphenyl-6-[3-(5-phenylnaphtho[1,2-b][1]benzofuran-9-yl)phenyl]pyrimidine
CID 164835302
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485
2-phenyl-4-[4-(9-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-6-(3-phenylphenyl)pyrimidine
CID 164834762
2-dibenzofuran-3-yl-4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 130465665
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (CID 176818663) is 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is c1ccc(-c2nc(-c3ccc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The InChIKey is UFXIPARQIUCIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O2/c1-3-12-31(13-4-1)36-19-11-21-46-48(36)42-29-41(37-16-7-8-18-40(37)49(42)54-46)32-22-24-33(25-23-32)43-30-44(52-50(51-43)34-14-5-2-6-15-34)35-26-27-39-38-17-9-10-20-45(38)53-47(39)28-35/h1-30H.
What are the key properties of 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine has a molecular weight of 690.80 g/mol, XLogP of 13.76, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 176818663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).