4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine

C46H28N2O2 — CID 169280081

IUPAC4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6oc7ccccc7c6c5)n4)c3)c2)cc1
InChIInChI=1S/C46H28N2O2/c1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-35(25-32)46-47-40(33-21-23-44-39(26-33)37-17-5-7-19-43(37)49-44)28-41(48-46)34-20-22-38-36-16-4-6-18-42(36)50-45(38)27-34/h1-28H
InChIKeyUFCLNXJGDDVOME-UHFFFAOYSA-N
MW640.74 g/mol
LogP12.61
Rot. Bonds5

About 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine

4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine (PubChem CID 169280081) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
PubChem CID169280081
Molecular FormulaC46H28N2O2
Molecular Weight640.74 g/mol
Exact Mass640.22
IUPAC Name4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine
SMILESc1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6oc7ccccc7c6c5)n4)c3)c2)cc1
InChIInChI=1S/C46H28N2O2/c1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-35(25-32)46-47-40(33-21-23-44-39(26-33)37-17-5-7-19-43(37)49-44)28-41(48-46)34-20-22-38-36-16-4-6-18-42(36)50-45(38)27-34/h1-28H
InChIKeyUFCLNXJGDDVOME-UHFFFAOYSA-N
XLogP12.61
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500640.74
LogP ≤ 512.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3-dibenzofuran-3-ylphenyl)-6-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171583600
2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(3-phenylphenyl)-1,3,5-triazine
CID 154613600
2-(3-dibenzofuran-3-ylphenyl)-4-phenyl-6-(7-phenyldibenzofuran-2-yl)-1,3,5-triazine
CID 155773189
2,4-di(dibenzofuran-2-yl)-6-dibenzofuran-3-ylpyrimidine
CID 138736794
4-(23-oxahexacyclo[12.11.0.02,7.08,13.016,24.017,22]pentacosa-1(25),2(7),3,5,8,10,12,14,16(24),17,19,21-dodecaen-5-yl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 167567887
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[3-(4-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160871906
4-dibenzofuran-3-yl-6-[4-(3,5-diphenylphenyl)phenyl]-2-phenylpyrimidine
CID 138659621
2-[7-(4-dibenzofuran-2-ylphenyl)dibenzofuran-3-yl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine
CID 166009557
2-phenyl-4-(8-phenyldibenzofuran-3-yl)-6-[3-[3-(3-phenylphenyl)phenyl]phenyl]-1,3,5-triazine
CID 155773119
2-dibenzofuran-3-yl-4-phenyl-6-[8-(4-phenylphenyl)dibenzofuran-2-yl]-1,3,5-triazine
CID 166953269
2-phenyl-4-[8-(3-phenylphenyl)dibenzofuran-3-yl]-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazine
CID 171597223
2-phenyl-4-(4-phenylphenyl)-6-[3-[7-(3-phenylphenyl)dibenzofuran-2-yl]phenyl]-1,3,5-triazine
CID 155773210

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine?
The IUPAC name of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine (CID 169280081) is 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine.
What is the SMILES notation for 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine?
The canonical SMILES for 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine is c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccc6c(c5)oc5ccccc56)cc(-c5ccc6oc7ccccc7c6c5)n4)c3)c2)cc1.
What is the InChIKey of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine?
The InChIKey is UFCLNXJGDDVOME-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-2-10-29(11-3-1)30-12-8-13-31(24-30)32-14-9-15-35(25-32)46-47-40(33-21-23-44-39(26-33)37-17-5-7-19-43(37)49-44)28-41(48-46)34-20-22-38-36-16-4-6-18-42(36)50-45(38)27-34/h1-28H.
What are the key properties of 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine?
4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine has a molecular weight of 640.74 g/mol, XLogP of 12.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-2-yl-6-dibenzofuran-3-yl-2-[3-(3-phenylphenyl)phenyl]pyrimidine is sourced from PubChem (CID 169280081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).