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

C153H91N13O6 — CID 160522692

IUPAC2-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4cncnc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ncc5ccccc5n4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ncncn4)c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C54H32N4O2.C50H30N4O2.C49H29N5O2/c1-2-10-33(11-3-1)47-31-48(34-18-20-35(21-19-34)53-55-32-38-12-4-7-15-46(38)56-53)58-54(57-47)41-27-39(36-22-24-51-44(29-36)42-13-5-8-16-49(42)59-51)26-40(28-41)37-23-25-52-45(30-37)43-14-6-9-17-50(43)60-52;1-2-10-32(11-3-1)44-27-45(33-22-20-31(21-23-33)37-28-51-30-52-29-37)54-50(53-44)36-25-34(38-14-8-16-42-40-12-4-6-18-46(40)55-48(38)42)24-35(26-36)39-15-9-17-43-41-13-5-7-19-47(41)56-49(39)43;1-2-9-30(10-3-1)42-27-43(33-11-8-12-34(21-33)48-51-28-50-29-52-48)54-49(53-42)37-23-35(31-17-19-46-40(25-31)38-13-4-6-15-44(38)55-46)22-36(24-37)32-18-20-47-41(26-32)39-14-5-7-16-45(39)56-47/h1-32H;1-30H;1-29H
InChIKeyQUMHQHORXLIKKC-UHFFFAOYSA-N
MW2207.50 g/mol
LogP39.75
Rot. Bonds18

About 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

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 (PubChem CID 160522692) has the molecular formula C153H91N13O6 and a molecular weight of 2207.50 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[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
PubChem CID160522692
Molecular FormulaC153H91N13O6
Molecular Weight2207.50 g/mol
Exact Mass2205.72
IUPAC Name2-[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
SMILESc1ccc(-c2cc(-c3ccc(-c4cncnc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ncc5ccccc5n4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ncncn4)c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C54H32N4O2.C50H30N4O2.C49H29N5O2/c1-2-10-33(11-3-1)47-31-48(34-18-20-35(21-19-34)53-55-32-38-12-4-7-15-46(38)56-53)58-54(57-47)41-27-39(36-22-24-51-44(29-36)42-13-5-8-16-49(42)59-51)26-40(28-41)37-23-25-52-45(30-37)43-14-6-9-17-50(43)60-52;1-2-10-32(11-3-1)44-27-45(33-22-20-31(21-23-33)37-28-51-30-52-29-37)54-50(53-44)36-25-34(38-14-8-16-42-40-12-4-6-18-46(40)55-48(38)42)24-35(26-36)39-15-9-17-43-41-13-5-7-19-47(41)56-49(39)43;1-2-9-30(10-3-1)42-27-43(33-11-8-12-34(21-33)48-51-28-50-29-52-48)54-49(53-42)37-23-35(31-17-19-46-40(25-31)38-13-4-6-15-44(38)55-46)22-36(24-37)32-18-20-47-41(26-32)39-14-5-7-16-45(39)56-47/h1-32H;1-30H;1-29H
InChIKeyQUMHQHORXLIKKC-UHFFFAOYSA-N
XLogP39.75
TPSA246.41 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds18
Heavy Atoms172
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002207.50
LogP ≤ 539.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 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 with MolForge

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Related Compounds

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
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 159089395
2-[3,5-di(dibenzofuran-2-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[3-(3-phenylphenyl)phenyl]pyrimidine;2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-[4-(3-phenylphenyl)phenyl]pyrimidine
CID 160739724
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-[3,5-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
4-dibenzofuran-2-yl-6-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-2-phenylpyrimidine
CID 171584969
2-[3-[6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidin-4-yl]phenyl]-1,3,5-triazine
CID 130262571
4,6-bis[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4,6-bis[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;2-[4-(4-dibenzofuran-2-ylphenyl)phenyl]-4-(4-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 159701721
2-[3-[3-[6-(4-dibenzofuran-4-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine
CID 154613978
4-[3,5-di(dibenzofuran-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(4-naphthalen-2-ylphenyl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 160528168
2-[3,5-di(dibenzofuran-4-yl)phenyl]-4-phenyl-6-(3-pyrimidin-2-ylphenyl)pyrimidine
CID 130262741

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3ccc(-c4cncnc4)cc3)nc(-c3cc(-c4cccc5c4oc4ccccc45)cc(-c4cccc5c4oc4ccccc45)c3)n2)cc1.c1ccc(-c2cc(-c3ccc(-c4ncc5ccccc5n4)cc3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2cc(-c3cccc(-c4ncncn4)c3)nc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is QUMHQHORXLIKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4O2.C50H30N4O2.C49H29N5O2/c1-2-10-33(11-3-1)47-31-48(34-18-20-35(21-19-34)53-55-32-38-12-4-7-15-46(38)56-53)58-54(57-47)41-27-39(36-22-24-51-44(29-36)42-13-5-8-16-49(42)59-51)26-40(28-41)37-23-25-52-45(30-37)43-14-6-9-17-50(43)60-52;1-2-10-32(11-3-1)44-27-45(33-22-20-31(21-23-33)37-28-51-30-52-29-37)54-50(53-44)36-25-34(38-14-8-16-42-40-12-4-6-18-46(40)55-48(38)42)24-35(26-36)39-15-9-17-43-41-13-5-7-19-47(41)56-49(39)43;1-2-9-30(10-3-1)42-27-43(33-11-8-12-34(21-33)48-51-28-50-29-52-48)54-49(53-42)37-23-35(31-17-19-46-40(25-31)38-13-4-6-15-44(38)55-46)22-36(24-37)32-18-20-47-41(26-32)39-14-5-7-16-45(39)56-47/h1-32H;1-30H;1-29H.
What are the key properties of 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?
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 has a molecular weight of 2207.50 g/mol, XLogP of 39.75, 18 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160522692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).