4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine

C52H33N3O2 — CID 130262706

IUPAC4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESCc1ccccc1-c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)nc(-c2ccccc2-c2cccnc2)n1
InChIInChI=1S/C52H33N3O2/c1-32-11-2-3-13-39(32)47-30-46(54-52(55-47)43-17-5-4-14-40(43)35-12-10-24-53-31-35)38-26-36(33-20-22-50-44(28-33)41-15-6-8-18-48(41)56-50)25-37(27-38)34-21-23-51-45(29-34)42-16-7-9-19-49(42)57-51/h2-31H,1H3
InChIKeyWBSSNBRXSFIKAS-UHFFFAOYSA-N
MW731.86 g/mol
LogP13.98
Rot. Bonds6

About 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine

4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (PubChem CID 130262706) has the molecular formula C52H33N3O2 and a molecular weight of 731.86 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
PubChem CID130262706
Molecular FormulaC52H33N3O2
Molecular Weight731.86 g/mol
Exact Mass731.26
IUPAC Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
SMILESCc1ccccc1-c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)nc(-c2ccccc2-c2cccnc2)n1
InChIInChI=1S/C52H33N3O2/c1-32-11-2-3-13-39(32)47-30-46(54-52(55-47)43-17-5-4-14-40(43)35-12-10-24-53-31-35)38-26-36(33-20-22-50-44(28-33)41-15-6-8-18-48(41)56-50)25-37(27-38)34-21-23-51-45(29-34)42-16-7-9-19-49(42)57-51/h2-31H,1H3
InChIKeyWBSSNBRXSFIKAS-UHFFFAOYSA-N
XLogP13.98
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500731.86
LogP ≤ 513.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262159
4-(4-dibenzofuran-2-ylphenyl)-6-(4-phenylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262345
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 171583291
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130261906
4-[3,5-bis(naphtho[2,3-b][1]benzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263153
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-2-phenyl-6-(3-pyridin-3-ylphenyl)pyrimidine
CID 171583697
4-(3-dibenzofuran-2-yl-5-naphthalen-1-ylphenyl)-6-phenyl-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 171585089
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-8-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130261952
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
4-[4-(1-dibenzofuran-2-yldibenzofuran-4-yl)phenyl]-2-phenyl-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 155077820
4-(3-bromo-5-pyridin-3-ylphenyl)-6-dibenzofuran-2-yl-2-phenylpyrimidine
CID 150536017
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(2-pyridin-2-ylphenyl)pyrimidine
CID 130262665

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine (CID 130262706) is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is Cc1ccccc1-c1cc(-c2cc(-c3ccc4oc5ccccc5c4c3)cc(-c3ccc4oc5ccccc5c4c3)c2)nc(-c2ccccc2-c2cccnc2)n1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is WBSSNBRXSFIKAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H33N3O2/c1-32-11-2-3-13-39(32)47-30-46(54-52(55-47)43-17-5-4-14-40(43)35-12-10-24-53-31-35)38-26-36(33-20-22-50-44(28-33)41-15-6-8-18-48(41)56-50)25-37(27-38)34-21-23-51-45(29-34)42-16-7-9-19-49(42)57-51/h2-31H,1H3.
What are the key properties of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine?
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 731.86 g/mol, XLogP of 13.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(2-methylphenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 130262706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).