2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine

C152H90N14O6 — CID 159680712

IUPAC2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ncncn4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ncncn4)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C54H32N4O2.2C49H29N5O2/c1-2-12-34(13-3-1)54-57-47(33-24-26-35(27-25-33)53-55-32-36-14-4-7-21-46(36)56-53)31-48(58-54)39-29-37(40-17-10-19-44-42-15-5-8-22-49(42)59-51(40)44)28-38(30-39)41-18-11-20-45-43-16-6-9-23-50(43)60-52(41)45;1-2-11-30(12-3-1)49-53-42(31-13-8-14-32(23-31)48-51-28-50-29-52-48)27-43(54-49)35-25-33(36-17-9-19-40-38-15-4-6-21-44(38)55-46(36)40)24-34(26-35)37-18-10-20-41-39-16-5-7-22-45(39)56-47(37)41;1-2-10-31(11-3-1)49-53-42(30-20-22-32(23-21-30)48-51-28-50-29-52-48)27-43(54-49)35-25-33(36-14-8-16-40-38-12-4-6-18-44(38)55-46(36)40)24-34(26-35)37-15-9-17-41-39-13-5-7-19-45(39)56-47(37)41/h1-32H;2*1-29H
InChIKeyMVEFCUDSHIRJPF-UHFFFAOYSA-N
MW2208.48 g/mol
LogP39.15
Rot. Bonds18

About 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine

2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine (PubChem CID 159680712) has the molecular formula C152H90N14O6 and a molecular weight of 2208.48 g/mol. Its IUPAC name is 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
PubChem CID159680712
Molecular FormulaC152H90N14O6
Molecular Weight2208.48 g/mol
Exact Mass2206.72
IUPAC Name2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
SMILESc1ccc(-c2nc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ncncn4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ncncn4)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1
InChIInChI=1S/C54H32N4O2.2C49H29N5O2/c1-2-12-34(13-3-1)54-57-47(33-24-26-35(27-25-33)53-55-32-36-14-4-7-21-46(36)56-53)31-48(58-54)39-29-37(40-17-10-19-44-42-15-5-8-22-49(42)59-51(40)44)28-38(30-39)41-18-11-20-45-43-16-6-9-23-50(43)60-52(41)45;1-2-11-30(12-3-1)49-53-42(31-13-8-14-32(23-31)48-51-28-50-29-52-48)27-43(54-49)35-25-33(36-17-9-19-40-38-15-4-6-21-44(38)55-46(36)40)24-34(26-35)37-18-10-20-41-39-16-5-7-22-45(39)56-47(37)41;1-2-10-31(11-3-1)49-53-42(30-20-22-32(23-21-30)48-51-28-50-29-52-48)27-43(54-49)35-25-33(36-14-8-16-40-38-12-4-6-18-44(38)55-46(36)40)24-34(26-35)37-15-9-17-41-39-13-5-7-19-45(39)56-47(37)41/h1-32H;2*1-29H
InChIKeyMVEFCUDSHIRJPF-UHFFFAOYSA-N
XLogP39.15
TPSA259.30 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds18
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002208.48
LogP ≤ 539.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Analyze 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-5-ylphenyl)pyrimidine;2-[4-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
CID 160522692
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 154613834
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 158944867
4-(3-dibenzofuran-4-ylphenyl)-2-naphthalen-2-yl-6-(4-phenylphenyl)pyrimidine
CID 130465796
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
4-[3-dibenzofuran-4-yl-5-(2-dibenzofuran-4-ylphenyl)phenyl]-2,6-diphenylpyrimidine
CID 171583012
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(4-pyrimidin-4-ylphenyl)pyrimidine
CID 130263182
2-(4-dibenzofuran-4-ylphenyl)-4,6-diphenylpyrimidine
CID 134271754
4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-[4-(4-pyridin-2-ylphenyl)phenyl]pyrimidine
CID 130261958
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-phenyl-2-(4-phenylphenyl)pyrimidine
CID 161324987
4-(3-dibenzofuran-2-yl-5-dibenzofuran-4-ylphenyl)-2-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160752497

Frequently Asked Questions

What is the IUPAC name of 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine?
The IUPAC name of 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine (CID 159680712) is 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine.
What is the SMILES notation for 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine?
The canonical SMILES for 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine is c1ccc(-c2nc(-c3ccc(-c4ncc5ccccc5n4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ncncn4)cc3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ncncn4)c3)cc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.
What is the InChIKey of 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine?
The InChIKey is MVEFCUDSHIRJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O2.2C49H29N5O2/c1-2-12-34(13-3-1)54-57-47(33-24-26-35(27-25-33)53-55-32-36-14-4-7-21-46(36)56-53)31-48(58-54)39-29-37(40-17-10-19-44-42-15-5-8-22-49(42)59-51(40)44)28-38(30-39)41-18-11-20-45-43-16-6-9-23-50(43)60-52(41)45;1-2-11-30(12-3-1)49-53-42(31-13-8-14-32(23-31)48-51-28-50-29-52-48)27-43(54-49)35-25-33(36-17-9-19-40-38-15-4-6-21-44(38)55-46(36)40)24-34(26-35)37-18-10-20-41-39-16-5-7-22-45(39)56-47(37)41;1-2-10-31(11-3-1)49-53-42(30-20-22-32(23-21-30)48-51-28-50-29-52-48)27-43(54-49)35-25-33(36-14-8-16-40-38-12-4-6-18-44(38)55-46(36)40)24-34(26-35)37-15-9-17-41-39-13-5-7-19-45(39)56-47(37)41/h1-32H;2*1-29H.
What are the key properties of 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine?
2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine has a molecular weight of 2208.48 g/mol, XLogP of 39.15, 18 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]quinazoline;2-[3-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine;2-[4-[6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine is sourced from PubChem (CID 159680712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).