2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine

C54H32N2O2 — CID 170294289

IUPAC2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc4oc5cccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5c34)c3ccccc23)cc1
InChIInChI=1S/C54H32N2O2/c1-2-13-34(14-3-1)38-27-28-41(40-17-7-6-16-39(38)40)43-19-10-22-50-52(43)53-44(20-11-23-51(53)58-50)47-32-46(36-25-24-33-12-4-5-15-35(33)30-36)55-54(56-47)37-26-29-49-45(31-37)42-18-8-9-21-48(42)57-49/h1-32H
InChIKeyDOHBRRLTPVGPRA-UHFFFAOYSA-N
MW740.86 g/mol
LogP14.92
Rot. Bonds5

About 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine

2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine (PubChem CID 170294289) has the molecular formula C54H32N2O2 and a molecular weight of 740.86 g/mol. Its IUPAC name is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine.

Molecular Properties

Compound Name2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine
PubChem CID170294289
Molecular FormulaC54H32N2O2
Molecular Weight740.86 g/mol
Exact Mass740.25
IUPAC Name2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine
SMILESc1ccc(-c2ccc(-c3cccc4oc5cccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5c34)c3ccccc23)cc1
InChIInChI=1S/C54H32N2O2/c1-2-13-34(14-3-1)38-27-28-41(40-17-7-6-16-39(38)40)43-19-10-22-50-52(43)53-44(20-11-23-51(53)58-50)47-32-46(36-25-24-33-12-4-5-15-35(33)30-36)55-54(56-47)37-26-29-49-45(31-37)42-18-8-9-21-48(42)57-49/h1-32H
InChIKeyDOHBRRLTPVGPRA-UHFFFAOYSA-N
XLogP14.92
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.86
LogP ≤ 514.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-2-yl-5-naphthalen-2-ylphenyl)-6-(3-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 171584011
2-dibenzofuran-2-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-naphthalen-2-yl-1,3,5-triazine
CID 166742865
4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(2-phenylnaphthalen-1-yl)pyrimidine
CID 176632580
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-2-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583020
2-dibenzofuran-1-yl-4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-6-phenyl-1,3,5-triazine;2-(4-dibenzofuran-2-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(4-dibenzofuran-3-ylnaphthalen-1-yl)-4-naphthalen-2-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 158453153
2-naphthalen-2-yl-4-[4-(8-naphthalen-1-yldibenzofuran-1-yl)naphthalen-1-yl]-6-phenyl-1,3,5-triazine
CID 167182694
4-[8-(4-fluoranthen-3-ylphenyl)dibenzofuran-1-yl]-2,6-diphenylpyrimidine
CID 146396702
2,4-diphenyl-6-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]pyrimidine;4,6-diphenyl-2-[8-(4-triphenylen-2-ylphenyl)dibenzofuran-1-yl]pyrimidine;2-[8-(3-naphthalen-1-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-[8-(3-naphthalen-2-ylphenyl)dibenzofuran-1-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-[8-[3-(5-phenylnaphthalen-1-yl)phenyl]dibenzofuran-1-yl]-6-(4-phenylphenyl)-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(3-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine;2-phenyl-4-(4-phenylphenyl)-6-[8-[4-(4-phenylphenyl)naphthalen-1-yl]dibenzofuran-1-yl]-1,3,5-triazine
CID 159457867
4-(6-dibenzofuran-2-ylnaphthalen-2-yl)-2-phenyl-6-(3-phenylnaphthalen-1-yl)pyrimidine
CID 176632775
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-2-phenyl-6-(6-phenylnaphthalen-2-yl)pyrimidine
CID 171585500
4-(4-dibenzofuran-1-ylnaphthalen-1-yl)-2-phenyl-6-(5-phenylnaphthalen-1-yl)pyrimidine
CID 176632187
4-(3-dibenzofuran-2-ylphenyl)-6-(9,9-diphenylfluoren-2-yl)-2-naphthalen-2-ylpyrimidine
CID 171603263

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine?
The IUPAC name of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine (CID 170294289) is 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine.
What is the SMILES notation for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine?
The canonical SMILES for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine is c1ccc(-c2ccc(-c3cccc4oc5cccc(-c6cc(-c7ccc8ccccc8c7)nc(-c7ccc8oc9ccccc9c8c7)n6)c5c34)c3ccccc23)cc1.
What is the InChIKey of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine?
The InChIKey is DOHBRRLTPVGPRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N2O2/c1-2-13-34(14-3-1)38-27-28-41(40-17-7-6-16-39(38)40)43-19-10-22-50-52(43)53-44(20-11-23-51(53)58-50)47-32-46(36-25-24-33-12-4-5-15-35(33)30-36)55-54(56-47)37-26-29-49-45(31-37)42-18-8-9-21-48(42)57-49/h1-32H.
What are the key properties of 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine?
2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine has a molecular weight of 740.86 g/mol, XLogP of 14.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-2-yl-4-naphthalen-2-yl-6-[9-(4-phenylnaphthalen-1-yl)dibenzofuran-1-yl]pyrimidine is sourced from PubChem (CID 170294289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).