4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

C133H87N9OS — CID 157072887

IUPAC4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1
InChIInChI=1S/C45H29N3O.C45H29N3S.C43H29N3/c2*1-2-8-30(9-3-1)31-15-21-34(22-16-31)41-28-42(48-45(47-41)36-25-17-32(18-26-36)37-10-7-27-46-29-37)35-23-19-33(20-24-35)38-12-6-13-40-39-11-4-5-14-43(39)49-44(38)40;1-2-8-30(9-3-1)31-15-21-35(22-16-31)41-28-42(46-43(45-41)37-25-17-32(18-26-37)38-12-7-27-44-29-38)36-23-19-34(20-24-36)40-14-6-11-33-10-4-5-13-39(33)40/h2*1-29H;1-29H
InChIKeyACQGMNTTYPIUPZ-UHFFFAOYSA-N
MW1859.29 g/mol
LogP35.04
Rot. Bonds18

About 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine

4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (PubChem CID 157072887) has the molecular formula C133H87N9OS and a molecular weight of 1859.29 g/mol. Its IUPAC name is 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
PubChem CID157072887
Molecular FormulaC133H87N9OS
Molecular Weight1859.29 g/mol
Exact Mass1857.68
IUPAC Name4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1
InChIInChI=1S/C45H29N3O.C45H29N3S.C43H29N3/c2*1-2-8-30(9-3-1)31-15-21-34(22-16-31)41-28-42(48-45(47-41)36-25-17-32(18-26-36)37-10-7-27-46-29-37)35-23-19-33(20-24-35)38-12-6-13-40-39-11-4-5-14-43(39)49-44(38)40;1-2-8-30(9-3-1)31-15-21-35(22-16-31)41-28-42(46-43(45-41)37-25-17-32(18-26-37)38-12-7-27-44-29-38)36-23-19-34(20-24-36)40-14-6-11-33-10-4-5-13-39(33)40/h2*1-29H;1-29H
InChIKeyACQGMNTTYPIUPZ-UHFFFAOYSA-N
XLogP35.04
TPSA129.15 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds18
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001859.29
LogP ≤ 535.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine with MolForge

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Related Compounds

4-(4-Dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262060
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262094
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-6-(4-fluorophenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine
CID 130262098
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130262591
4-(4-Dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(3-pyridin-3-ylphenyl)pyrimidine
CID 130262913
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263321
2-[3,5-Di(dibenzofuran-2-yl)phenyl]-4-(4-fluorophenyl)-6-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263325
4-[3,5-Di(dibenzofuran-2-yl)phenyl]-2-(4-fluorophenyl)-6-(4-pyridin-3-ylphenyl)pyrimidine
CID 130263391
4-(4-Dibenzofuran-2-ylphenyl)-6-(4-fluorophenyl)-2-(2-pyridin-3-ylphenyl)pyrimidine
CID 130263451
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-3-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519456
2-(3-Fluoronaphthalen-1-yl)-4-(7-phenyldibenzofuran-2-yl)-6-(7-pyridin-3-yldibenzothiophen-3-yl)-1,3,5-triazine
CID 138519473
2-[6-[2-(3-Fluorophenyl)-3-pyridinyl]dibenzothiophen-4-yl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 138519725

Frequently Asked Questions

What is the IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The IUPAC name of 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine (CID 157072887) is 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine.
What is the SMILES notation for 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The canonical SMILES for 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6c5sc5ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc(-c5cccc6ccccc56)cc4)nc(-c4ccc(-c5cccnc5)cc4)n3)cc2)cc1.
What is the InChIKey of 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
The InChIKey is ACQGMNTTYPIUPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H29N3O.C45H29N3S.C43H29N3/c2*1-2-8-30(9-3-1)31-15-21-34(22-16-31)41-28-42(48-45(47-41)36-25-17-32(18-26-36)37-10-7-27-46-29-37)35-23-19-33(20-24-35)38-12-6-13-40-39-11-4-5-14-43(39)49-44(38)40;1-2-8-30(9-3-1)31-15-21-35(22-16-31)41-28-42(46-43(45-41)37-25-17-32(18-26-37)38-12-7-27-44-29-38)36-23-19-34(20-24-36)40-14-6-11-33-10-4-5-13-39(33)40/h2*1-29H;1-29H.
What are the key properties of 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine?
4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine has a molecular weight of 1859.29 g/mol, XLogP of 35.04, 18 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-dibenzofuran-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine;4-(4-naphthalen-1-ylphenyl)-6-(4-phenylphenyl)-2-(4-pyridin-3-ylphenyl)pyrimidine is sourced from PubChem (CID 157072887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).