2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine

C46H28N2O2 — CID 160830138

IUPAC2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C46H28N2O2/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)39-28-38(31-14-5-2-6-15-31)47-46(48-39)37-27-26-34(44-36-17-8-10-20-41(36)50-45(37)44)33-18-11-21-42-43(33)35-16-7-9-19-40(35)49-42/h1-28H
InChIKeyIKTRDXCYYPLLMA-UHFFFAOYSA-N
MW640.74 g/mol
LogP12.61
Rot. Bonds5

About 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine

2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 160830138) has the molecular formula C46H28N2O2 and a molecular weight of 640.74 g/mol. Its IUPAC name is 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID160830138
Molecular FormulaC46H28N2O2
Molecular Weight640.74 g/mol
Exact Mass640.22
IUPAC Name2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)n3)cc2)cc1
InChIInChI=1S/C46H28N2O2/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)39-28-38(31-14-5-2-6-15-31)47-46(48-39)37-27-26-34(44-36-17-8-10-20-41(36)50-45(37)44)33-18-11-21-42-43(33)35-16-7-9-19-40(35)49-42/h1-28H
InChIKeyIKTRDXCYYPLLMA-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

2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-pyridin-4-ylphenyl)pyrimidine
CID 155079316
2-(1-dibenzofuran-4-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 157084130
4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-pyridin-4-ylphenyl)pyrimidine
CID 155078280
4-[4-(4-dibenzofuran-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 121460855
2-(4-dibenzofuran-1-ylphenyl)-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 139304376
4-[4-(1-dibenzofuran-4-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 158177029
4-(4-dibenzofuran-1-ylphenyl)-2-(3-phenylphenyl)-6-(4-phenylphenyl)pyrimidine
CID 139304375
2-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-2-ylphenyl)pyrimidine;4-[4-(1-dibenzofuran-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 159763916
2-[2-[3-(4-dibenzofuran-1-ylphenyl)-4-(4,6-diphenylpyrimidin-2-yl)phenyl]phenyl]-4,6-diphenylpyrimidine
CID 174268136
4-(1-dibenzofuran-4-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 161381922
4-(1-dibenzofuran-1-yldibenzofuran-4-yl)-6-phenyl-2-(3-pyridin-4-ylphenyl)pyrimidine
CID 155078891
2-dibenzofuran-1-yl-4-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidine
CID 139304383

Frequently Asked Questions

What is the IUPAC name of 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine (CID 160830138) is 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6oc7ccccc7c56)c5c4oc4ccccc45)n3)cc2)cc1.
What is the InChIKey of 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is IKTRDXCYYPLLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C46H28N2O2/c1-3-12-29(13-4-1)30-22-24-32(25-23-30)39-28-38(31-14-5-2-6-15-31)47-46(48-39)37-27-26-34(44-36-17-8-10-20-41(36)50-45(37)44)33-18-11-21-42-43(33)35-16-7-9-19-40(35)49-42/h1-28H.
What are the key properties of 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine?
2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)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 2-(1-dibenzofuran-1-yldibenzofuran-4-yl)-4-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 160830138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).