4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

C214H136N8O8 — CID 160795004

IUPAC4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C55H36N2O2.2C52H32N2O2/c1-55(2)46-23-9-6-16-40(46)41-27-26-34(31-47(41)55)48-32-49(57-54(56-48)33-14-4-3-5-15-33)37-29-35(38-19-12-21-44-42-17-7-10-24-50(42)58-52(38)44)28-36(30-37)39-20-13-22-45-43-18-8-11-25-51(43)59-53(39)45;1-55(2)46-17-9-6-14-40(46)41-23-20-36(31-47(41)55)48-32-49(57-54(56-48)33-12-4-3-5-13-33)39-27-37(34-21-24-52-44(29-34)42-15-7-10-18-50(42)58-52)26-38(28-39)35-22-25-53-45(30-35)43-16-8-11-19-51(43)59-53;1-3-14-33(15-4-1)35-18-11-19-36(28-35)46-32-47(54-52(53-46)34-16-5-2-6-17-34)39-30-37(40-22-12-24-44-42-20-7-9-26-48(42)55-50(40)44)29-38(31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-33(13-4-1)35-16-11-17-38(26-35)46-32-47(54-52(53-46)34-14-5-2-6-15-34)41-28-39(36-22-24-50-44(30-36)42-18-7-9-20-48(42)55-50)27-40(29-41)37-23-25-51-45(31-37)43-19-8-10-21-49(43)56-51/h2*3-32H,1-2H3;2*1-32H
InChIKeySCIAWXFIFBYQLW-UHFFFAOYSA-N
MW2947.49 g/mol
LogP58.39
Rot. Bonds22

About 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine

4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (PubChem CID 160795004) has the molecular formula C214H136N8O8 and a molecular weight of 2947.49 g/mol. Its IUPAC name is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
PubChem CID160795004
Molecular FormulaC214H136N8O8
Molecular Weight2947.49 g/mol
Exact Mass2945.05
IUPAC Name4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1
InChIInChI=1S/2C55H36N2O2.2C52H32N2O2/c1-55(2)46-23-9-6-16-40(46)41-27-26-34(31-47(41)55)48-32-49(57-54(56-48)33-14-4-3-5-15-33)37-29-35(38-19-12-21-44-42-17-7-10-24-50(42)58-52(38)44)28-36(30-37)39-20-13-22-45-43-18-8-11-25-51(43)59-53(39)45;1-55(2)46-17-9-6-14-40(46)41-23-20-36(31-47(41)55)48-32-49(57-54(56-48)33-12-4-3-5-13-33)39-27-37(34-21-24-52-44(29-34)42-15-7-10-18-50(42)58-52)26-38(28-39)35-22-25-53-45(30-35)43-16-8-11-19-51(43)59-53;1-3-14-33(15-4-1)35-18-11-19-36(28-35)46-32-47(54-52(53-46)34-16-5-2-6-17-34)39-30-37(40-22-12-24-44-42-20-7-9-26-48(42)55-50(40)44)29-38(31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-33(13-4-1)35-16-11-17-38(26-35)46-32-47(54-52(53-46)34-14-5-2-6-15-34)41-28-39(36-22-24-50-44(30-36)42-18-7-9-20-48(42)55-50)27-40(29-41)37-23-25-51-45(31-37)43-19-8-10-21-49(43)56-51/h2*3-32H,1-2H3;2*1-32H
InChIKeySCIAWXFIFBYQLW-UHFFFAOYSA-N
XLogP58.39
TPSA208.24 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds22
Heavy Atoms230
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002947.49
LogP ≤ 558.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The IUPAC name of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine (CID 160795004) is 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The canonical SMILES for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)cc21.CC1(C)c2ccccc2-c2ccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2cccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5ccc6oc7ccccc7c6c5)c4)nc(-c4ccccc4)n3)c2)cc1.c1ccc(-c2cccc(-c3cc(-c4cc(-c5cccc6c5oc5ccccc56)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)c2)cc1.
What is the InChIKey of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
The InChIKey is SCIAWXFIFBYQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/2C55H36N2O2.2C52H32N2O2/c1-55(2)46-23-9-6-16-40(46)41-27-26-34(31-47(41)55)48-32-49(57-54(56-48)33-14-4-3-5-15-33)37-29-35(38-19-12-21-44-42-17-7-10-24-50(42)58-52(38)44)28-36(30-37)39-20-13-22-45-43-18-8-11-25-51(43)59-53(39)45;1-55(2)46-17-9-6-14-40(46)41-23-20-36(31-47(41)55)48-32-49(57-54(56-48)33-12-4-3-5-13-33)39-27-37(34-21-24-52-44(29-34)42-15-7-10-18-50(42)58-52)26-38(28-39)35-22-25-53-45(30-35)43-16-8-11-19-51(43)59-53;1-3-14-33(15-4-1)35-18-11-19-36(28-35)46-32-47(54-52(53-46)34-16-5-2-6-17-34)39-30-37(40-22-12-24-44-42-20-7-9-26-48(42)55-50(40)44)29-38(31-39)41-23-13-25-45-43-21-8-10-27-49(43)56-51(41)45;1-3-12-33(13-4-1)35-16-11-17-38(26-35)46-32-47(54-52(53-46)34-14-5-2-6-15-34)41-28-39(36-22-24-50-44(30-36)42-18-7-9-20-48(42)55-50)27-40(29-41)37-23-25-51-45(31-37)43-19-8-10-21-49(43)56-51/h2*3-32H,1-2H3;2*1-32H.
What are the key properties of 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine?
4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine has a molecular weight of 2947.49 g/mol, XLogP of 58.39, 22 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenyl-6-(3-phenylphenyl)pyrimidine is sourced from PubChem (CID 160795004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).