4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine

C183H118N8O5 — CID 159000045

IUPAC4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H34N2O.C46H28N2O2.2C44H28N2O/c1-49(2)42-17-8-6-13-38(42)39-28-27-36(29-43(39)49)45-30-44(50-48(51-45)35-11-4-3-5-12-35)34-25-21-32(22-26-34)31-19-23-33(24-20-31)37-15-10-16-41-40-14-7-9-18-46(40)52-47(37)41;1-2-9-33(10-3-1)46-47-40(28-41(48-46)34-25-26-38-36-11-4-6-15-42(36)49-44(38)27-34)32-23-19-30(20-24-32)29-17-21-31(22-18-29)35-13-8-14-39-37-12-5-7-16-43(37)50-45(35)39;1-2-11-34(12-3-1)44-45-40(28-41(46-44)37-17-8-13-31-10-4-5-14-35(31)37)33-26-22-30(23-27-33)29-20-24-32(25-21-29)36-16-9-18-39-38-15-6-7-19-42(38)47-43(36)39;1-2-10-34(11-3-1)44-45-40(28-41(46-44)36-26-21-29-9-4-5-12-35(29)27-36)33-24-19-31(20-25-33)30-17-22-32(23-18-30)37-14-8-15-39-38-13-6-7-16-42(38)47-43(37)39/h3-30H,1-2H3;1-28H;2*1-28H
InChIKeyJRFPMSNUZSHNEF-UHFFFAOYSA-N
MW2509.01 g/mol
LogP49.36
Rot. Bonds20

About 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine

4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine (PubChem CID 159000045) has the molecular formula C183H118N8O5 and a molecular weight of 2509.01 g/mol. Its IUPAC name is 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine.

Molecular Properties

Compound Name4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
PubChem CID159000045
Molecular FormulaC183H118N8O5
Molecular Weight2509.01 g/mol
Exact Mass2506.92
IUPAC Name4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
SMILESCC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3cccc4ccccc34)n2)cc1
InChIInChI=1S/C49H34N2O.C46H28N2O2.2C44H28N2O/c1-49(2)42-17-8-6-13-38(42)39-28-27-36(29-43(39)49)45-30-44(50-48(51-45)35-11-4-3-5-12-35)34-25-21-32(22-26-34)31-19-23-33(24-20-31)37-15-10-16-41-40-14-7-9-18-46(40)52-47(37)41;1-2-9-33(10-3-1)46-47-40(28-41(48-46)34-25-26-38-36-11-4-6-15-42(36)49-44(38)27-34)32-23-19-30(20-24-32)29-17-21-31(22-18-29)35-13-8-14-39-37-12-5-7-16-43(37)50-45(35)39;1-2-11-34(12-3-1)44-45-40(28-41(46-44)37-17-8-13-31-10-4-5-14-35(31)37)33-26-22-30(23-27-33)29-20-24-32(25-21-29)36-16-9-18-39-38-15-6-7-19-42(38)47-43(36)39;1-2-10-34(11-3-1)44-45-40(28-41(46-44)36-26-21-29-9-4-5-12-35(29)27-36)33-24-19-31(20-25-33)30-17-22-32(23-18-30)37-14-8-15-39-38-13-6-7-16-42(38)47-43(37)39/h3-30H,1-2H3;1-28H;2*1-28H
InChIKeyJRFPMSNUZSHNEF-UHFFFAOYSA-N
XLogP49.36
TPSA168.82 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds20
Heavy Atoms196
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002509.01
LogP ≤ 549.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine with MolForge

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Related Compounds

4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-1-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-2-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-3-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[3,5-di(dibenzofuran-4-yl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine
CID 159119029
4-dibenzofuran-4-yl-6-[4-[4-(9,9-dimethylfluoren-2-yl)phenyl]naphthalen-1-yl]-2-phenylpyrimidine
CID 168776863
2-dibenzofuran-4-yl-4-[3-[3-[6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine
CID 154614151
4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine
CID 121460850
2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-diphenyl-1,3,5-triazine;2-[3-[3-[2,6-bis(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(4-phenylphenyl)-1,3,5-triazine;2-dibenzofuran-3-yl-4-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-6-(3-phenylphenyl)-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-1-yl-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4,6-dinaphthalen-2-yl-1,3,5-triazine;2-[3-[3-[2-dibenzofuran-3-yl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]phenyl]-4-phenyl-6-(6-phenyldibenzofuran-4-yl)-1,3,5-triazine
CID 158286962
4-(3-dibenzofuran-4-yl-5-phenylphenyl)-6-[3-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171585086
2-tert-butyl-4,6-bis(4-phenylphenyl)pyrimidine;2-tert-butyl-4-dibenzofuran-4-yl-6-phenylpyrimidine;2-tert-butyl-4-dibenzofuran-3-yl-6-phenyl-1,3,5-triazine;2-tert-butyl-4-naphthalen-1-yl-6-phenylpyrimidine;2-tert-butyl-4-naphthalen-2-yl-6-phenylpyrimidine;2-tert-butyl-4-phenyl-6-(4-phenylphenyl)pyrimidine
CID 163750421
2-dibenzofuran-3-yl-4-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-6-phenyl-1,3,5-triazine;2,4-di(dibenzofuran-3-yl)-6-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-1,3,5-triazine;2-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-(3,5-diphenylphenyl)-6-phenyl-1,3,5-triazine;2-[3-[3-[2-(9,9-dimethylfluoren-2-yl)-6-phenylpyrimidin-4-yl]phenyl]phenyl]-4-naphtho[2,3-b][1]benzofuran-3-yl-6-phenyl-1,3,5-triazine
CID 157318035
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine
CID 121460851
4-[3-dibenzofuran-4-yl-5-(4-phenylphenyl)phenyl]-6-[2-(9,9-dimethylfluoren-2-yl)phenyl]-2-phenylpyrimidine
CID 171584080
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
4-(6-dibenzofuran-4-ylnaphthalen-2-yl)-6-(11,11-dimethylbenzo[b]fluoren-4-yl)-2-phenylpyrimidine
CID 176794281

Frequently Asked Questions

What is the IUPAC name of 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The IUPAC name of 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine (CID 159000045) is 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine.
What is the SMILES notation for 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The canonical SMILES for 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine is CC1(C)c2ccccc2-c2ccc(-c3cc(-c4ccc(-c5ccc(-c6cccc7c6oc6ccccc67)cc5)cc4)nc(-c4ccccc4)n3)cc21.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3ccc4c(c3)oc3ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3ccc4ccccc4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc(-c5cccc6c5oc5ccccc56)cc4)cc3)cc(-c3cccc4ccccc34)n2)cc1.
What is the InChIKey of 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
The InChIKey is JRFPMSNUZSHNEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H34N2O.C46H28N2O2.2C44H28N2O/c1-49(2)42-17-8-6-13-38(42)39-28-27-36(29-43(39)49)45-30-44(50-48(51-45)35-11-4-3-5-12-35)34-25-21-32(22-26-34)31-19-23-33(24-20-31)37-15-10-16-41-40-14-7-9-18-46(40)52-47(37)41;1-2-9-33(10-3-1)46-47-40(28-41(48-46)34-25-26-38-36-11-4-6-15-42(36)49-44(38)27-34)32-23-19-30(20-24-32)29-17-21-31(22-18-29)35-13-8-14-39-37-12-5-7-16-43(37)50-45(35)39;1-2-11-34(12-3-1)44-45-40(28-41(46-44)37-17-8-13-31-10-4-5-14-35(31)37)33-26-22-30(23-27-33)29-20-24-32(25-21-29)36-16-9-18-39-38-15-6-7-19-42(38)47-43(36)39;1-2-10-34(11-3-1)44-45-40(28-41(46-44)36-26-21-29-9-4-5-12-35(29)27-36)33-24-19-31(20-25-33)30-17-22-32(23-18-30)37-14-8-15-39-38-13-6-7-16-42(38)47-43(37)39/h3-30H,1-2H3;1-28H;2*1-28H.
What are the key properties of 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine?
4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine has a molecular weight of 2509.01 g/mol, XLogP of 49.36, 20 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-dibenzofuran-3-yl-6-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-(9,9-dimethylfluoren-2-yl)-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-1-yl-2-phenylpyrimidine;4-[4-(4-dibenzofuran-4-ylphenyl)phenyl]-6-naphthalen-2-yl-2-phenylpyrimidine is sourced from PubChem (CID 159000045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).