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

C50H30N2O2 — CID 176818034

IUPAC4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C50H30N2O2/c1-3-13-31(14-4-1)35-20-12-24-46-47(35)42-29-41(36-17-7-8-19-38(36)49(42)54-46)32-25-27-34(28-26-32)50-51-43(33-15-5-2-6-16-33)30-44(52-50)40-22-11-21-39-37-18-9-10-23-45(37)53-48(39)40/h1-30H
InChIKeyDNXOTVSZSJSMAV-UHFFFAOYSA-N
MW690.80 g/mol
LogP13.76
Rot. Bonds5

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

4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (PubChem CID 176818034) has the molecular formula C50H30N2O2 and a molecular weight of 690.80 g/mol. Its IUPAC name is 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
PubChem CID176818034
Molecular FormulaC50H30N2O2
Molecular Weight690.80 g/mol
Exact Mass690.23
IUPAC Name4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
SMILESc1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)n2)cc1
InChIInChI=1S/C50H30N2O2/c1-3-13-31(14-4-1)35-20-12-24-46-47(35)42-29-41(36-17-7-8-19-38(36)49(42)54-46)32-25-27-34(28-26-32)50-51-43(33-15-5-2-6-16-33)30-44(52-50)40-22-11-21-39-37-18-9-10-23-45(37)53-48(39)40/h1-30H
InChIKeyDNXOTVSZSJSMAV-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-[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-2-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 176818663
4-[4-(5-dibenzofuran-4-ylnaphtho[1,2-b][1]benzofuran-7-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 164835257
4,6-diphenyl-2-[4-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835133
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
2-dibenzofuran-4-yl-4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)-6-(4-phenylphenyl)-1,3,5-triazine
CID 176818511
2-dibenzofuran-2-yl-4-phenyl-6-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-1,3,5-triazine
CID 176818485
2,4-diphenyl-6-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine
CID 164835316
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
2-[4-(7-dibenzofuran-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 176818272
2,4-diphenyl-6-[6-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]dibenzofuran-1-yl]-1,3,5-triazine;2,4-diphenyl-6-[6-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159237047
2,4-diphenyl-6-[3-[3-(7-triphenylen-2-ylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]phenyl]pyrimidine
CID 164834788

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The IUPAC name of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine (CID 176818034) is 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The canonical SMILES for 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is c1ccc(-c2cc(-c3cccc4c3oc3ccccc34)nc(-c3ccc(-c4cc5c(oc6cccc(-c7ccccc7)c65)c5ccccc45)cc3)n2)cc1.
What is the InChIKey of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
The InChIKey is DNXOTVSZSJSMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H30N2O2/c1-3-13-31(14-4-1)35-20-12-24-46-47(35)42-29-41(36-17-7-8-19-38(36)49(42)54-46)32-25-27-34(28-26-32)50-51-43(33-15-5-2-6-16-33)30-44(52-50)40-22-11-21-39-37-18-9-10-23-45(37)53-48(39)40/h1-30H.
What are the key properties of 4-dibenzofuran-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine?
4-dibenzofuran-4-yl-6-phenyl-2-[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-4-yl-6-phenyl-2-[4-(7-phenylnaphtho[1,2-b][1]benzofuran-5-yl)phenyl]pyrimidine is sourced from PubChem (CID 176818034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).