2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine

C132H80N6O4S2 — CID 158713943

IUPAC2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1
InChIInChI=1S/2C46H28N2O2.C40H24N2S2/c1-3-11-29(12-4-1)33-23-34(30-13-5-2-6-14-30)25-35(24-33)41-28-40(31-19-21-38-36-15-7-9-17-42(36)49-44(38)26-31)47-46(48-41)32-20-22-39-37-16-8-10-18-43(37)50-45(39)27-32;1-2-9-29(10-3-1)32-11-8-12-33(25-32)30-17-19-31(20-18-30)40-28-41(34-21-23-38-36-13-4-6-15-42(36)49-44(38)26-34)48-46(47-40)35-22-24-39-37-14-5-7-16-43(37)50-45(39)27-35;1-2-9-25(10-3-1)26-11-8-12-29(21-26)40-41-34(27-17-19-32-30-13-4-6-15-36(30)43-38(32)22-27)24-35(42-40)28-18-20-33-31-14-5-7-16-37(31)44-39(33)23-28/h2*1-28H;1-24H
InChIKeyIJBPKWKLOQEKQJ-UHFFFAOYSA-N
MW1878.26 g/mol
LogP37.10
Rot. Bonds14

About 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine

2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine (PubChem CID 158713943) has the molecular formula C132H80N6O4S2 and a molecular weight of 1878.26 g/mol. Its IUPAC name is 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine
PubChem CID158713943
Molecular FormulaC132H80N6O4S2
Molecular Weight1878.26 g/mol
Exact Mass1876.57
IUPAC Name2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine
SMILESc1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1
InChIInChI=1S/2C46H28N2O2.C40H24N2S2/c1-3-11-29(12-4-1)33-23-34(30-13-5-2-6-14-30)25-35(24-33)41-28-40(31-19-21-38-36-15-7-9-17-42(36)49-44(38)26-31)47-46(48-41)32-20-22-39-37-16-8-10-18-43(37)50-45(39)27-32;1-2-9-29(10-3-1)32-11-8-12-33(25-32)30-17-19-31(20-18-30)40-28-41(34-21-23-38-36-13-4-6-15-42(36)49-44(38)26-34)48-46(47-40)35-22-24-39-37-14-5-7-16-43(37)50-45(39)27-35;1-2-9-25(10-3-1)26-11-8-12-29(21-26)40-41-34(27-17-19-32-30-13-4-6-15-36(30)43-38(32)22-27)24-35(42-40)28-18-20-33-31-14-5-7-16-37(31)44-39(33)23-28/h2*1-28H;1-24H
InChIKeyIJBPKWKLOQEKQJ-UHFFFAOYSA-N
XLogP37.10
TPSA129.90 Ų
H-Bond Donors
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms144
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001878.26
LogP ≤ 537.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1012

Analyze 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine with MolForge

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Related Compounds

4,6-di(dibenzofuran-3-yl)-2-[3-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzofuran-3-yl)-2-(3-phenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3,5-diphenylphenyl)-1,3,5-triazine
CID 160781229
2-dibenzofuran-3-yl-4-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-6-naphthalen-2-yl-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-[3-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]phenyl]-6-naphthalen-2-yl-1,3,5-triazine;2-[3-[3-(6-dibenzofuran-3-yl-2-phenylpyrimidin-4-yl)phenyl]phenyl]-4-(4-naphthalen-2-ylphenyl)-6-phenyl-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[3-[4-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 161083758
2-(4-dibenzofuran-3-ylphenyl)-4-dibenzothiophen-3-yl-6-(3-phenylphenyl)-1,3,5-triazine
CID 168850276
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-6-phenyl-2-(3-phenylphenyl)pyrimidine
CID 171583543
2-(3-dibenzofuran-3-yl-5-phenylphenyl)-4-dibenzothiophen-3-yl-6-(4-phenylphenyl)-1,3,5-triazine
CID 146640504
2-dibenzofuran-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzothiophen-3-yl-4-[4-(3,5-diphenylphenyl)phenyl]-6-phenyl-1,3,5-triazine
CID 162122962
2-dibenzothiophen-3-yl-4-(7-phenyldibenzofuran-3-yl)-6-(3-phenylphenyl)-1,3,5-triazine
CID 155380197
4-[4-(3-dibenzofuran-3-yl-5-phenylphenyl)phenyl]-2-dibenzothiophen-2-yl-6-(19-oxapentacyclo[14.2.1.05,18.06,11.012,17]nonadeca-1,3,5(18),6,8,10,12(17),13,15-nonaen-3-yl)pyrimidine
CID 170131684
2-dibenzofuran-3-yl-4-phenyl-6-[7-(3-phenylphenyl)dibenzothiophen-3-yl]-1,3,5-triazine
CID 171414774
4,6-di(dibenzothiophen-3-yl)-2-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2,4-di(dibenzothiophen-3-yl)-6-(3-phenylphenyl)pyrimidine
CID 160702038
4-(3-dibenzothiophen-3-yl-5-phenylphenyl)-2-phenyl-6-(3-phenylphenyl)pyrimidine
CID 171584552
4,6-di(dibenzothiophen-3-yl)-2-[3-(4-phenylphenyl)phenyl]pyrimidine
CID 138613712

Frequently Asked Questions

What is the IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine?
The IUPAC name of 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine (CID 158713943) is 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine is c1ccc(-c2cc(-c3ccccc3)cc(-c3cc(-c4ccc5c(c4)oc4ccccc45)nc(-c4ccc5c(c4)oc4ccccc45)n3)c2)cc1.c1ccc(-c2cccc(-c3ccc(-c4cc(-c5ccc6c(c5)oc5ccccc56)nc(-c5ccc6c(c5)oc5ccccc56)n4)cc3)c2)cc1.c1ccc(-c2cccc(-c3nc(-c4ccc5c(c4)sc4ccccc45)cc(-c4ccc5c(c4)sc4ccccc45)n3)c2)cc1.
What is the InChIKey of 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine?
The InChIKey is IJBPKWKLOQEKQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C46H28N2O2.C40H24N2S2/c1-3-11-29(12-4-1)33-23-34(30-13-5-2-6-14-30)25-35(24-33)41-28-40(31-19-21-38-36-15-7-9-17-42(36)49-44(38)26-31)47-46(48-41)32-20-22-39-37-16-8-10-18-43(37)50-45(39)27-32;1-2-9-29(10-3-1)32-11-8-12-33(25-32)30-17-19-31(20-18-30)40-28-41(34-21-23-38-36-13-4-6-15-42(36)49-44(38)26-34)48-46(47-40)35-22-24-39-37-14-5-7-16-43(37)50-45(39)27-35;1-2-9-25(10-3-1)26-11-8-12-29(21-26)40-41-34(27-17-19-32-30-13-4-6-15-36(30)43-38(32)22-27)24-35(42-40)28-18-20-33-31-14-5-7-16-37(31)44-39(33)23-28/h2*1-28H;1-24H.
What are the key properties of 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine?
2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine has a molecular weight of 1878.26 g/mol, XLogP of 37.10, 14 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-di(dibenzofuran-3-yl)-6-(3,5-diphenylphenyl)pyrimidine;2,4-di(dibenzofuran-3-yl)-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4,6-di(dibenzothiophen-3-yl)-2-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 158713943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).