4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine

C178H106N6O6S — CID 158535425

IUPAC4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cc6ccccc6c6oc7ccccc7c56)cc(-c5cc6ccccc6c6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc(-c5ccc6oc7ccc8ccccc8c7c6c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/2C60H36N2O2.C58H34N2O2S/c1-3-15-37(16-4-1)38-27-29-39(30-28-38)52-36-53(62-60(61-52)40-17-5-2-6-18-40)45-32-43(50-34-41-19-7-9-21-46(41)58-56(50)48-23-11-13-25-54(48)63-58)31-44(33-45)51-35-42-20-8-10-22-47(42)59-57(51)49-24-12-14-26-55(49)64-59;1-3-11-37(12-4-1)38-19-21-41(22-20-38)52-36-53(62-60(61-52)42-15-5-2-6-16-42)47-32-45(43-25-27-54-50(34-43)58-48-17-9-7-13-39(48)23-29-56(58)63-54)31-46(33-47)44-26-28-55-51(35-44)59-49-18-10-8-14-40(49)24-30-57(59)64-55;1-2-11-35(12-3-1)58-59-50(40-14-10-13-36(27-40)37-23-26-57-49(33-37)46-17-6-9-20-56(46)63-57)34-51(60-58)43-29-41(38-21-24-54-47(31-38)44-15-4-7-18-52(44)61-54)28-42(30-43)39-22-25-55-48(32-39)45-16-5-8-19-53(45)62-55/h2*1-36H;1-34H
InChIKeyHNWQBTYHRIOLSQ-UHFFFAOYSA-N
MW2456.91 g/mol
LogP49.81
Rot. Bonds18

About 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine

4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (PubChem CID 158535425) has the molecular formula C178H106N6O6S and a molecular weight of 2456.91 g/mol. Its IUPAC name is 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
PubChem CID158535425
Molecular FormulaC178H106N6O6S
Molecular Weight2456.91 g/mol
Exact Mass2454.79
IUPAC Name4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine
SMILESc1ccc(-c2ccc(-c3cc(-c4cc(-c5cc6ccccc6c6oc7ccccc7c56)cc(-c5cc6ccccc6c6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc(-c5ccc6oc7ccc8ccccc8c7c6c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/2C60H36N2O2.C58H34N2O2S/c1-3-15-37(16-4-1)38-27-29-39(30-28-38)52-36-53(62-60(61-52)40-17-5-2-6-18-40)45-32-43(50-34-41-19-7-9-21-46(41)58-56(50)48-23-11-13-25-54(48)63-58)31-44(33-45)51-35-42-20-8-10-22-47(42)59-57(51)49-24-12-14-26-55(49)64-59;1-3-11-37(12-4-1)38-19-21-41(22-20-38)52-36-53(62-60(61-52)42-15-5-2-6-16-42)47-32-45(43-25-27-54-50(34-43)58-48-17-9-7-13-39(48)23-29-56(58)63-54)31-46(33-47)44-26-28-55-51(35-44)59-49-18-10-8-14-40(49)24-30-57(59)64-55;1-2-11-35(12-3-1)58-59-50(40-14-10-13-36(27-40)37-23-26-57-49(33-37)46-17-6-9-20-56(46)63-57)34-51(60-58)43-29-41(38-21-24-54-47(31-38)44-15-4-7-18-52(44)61-54)28-42(30-43)39-22-25-55-48(32-39)45-16-5-8-19-53(45)62-55/h2*1-36H;1-34H
InChIKeyHNWQBTYHRIOLSQ-UHFFFAOYSA-N
XLogP49.81
TPSA156.18 Ų
H-Bond Donors
H-Bond Acceptors13
Rotatable Bonds18
Heavy Atoms191
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002456.91
LogP ≤ 549.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1013

Analyze 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine with MolForge

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Related Compounds

4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine
CID 159699193
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583292
4-[4-(4-dibenzofuran-2-ylphenyl)naphthalen-1-yl]-2,6-diphenylpyrimidine;2-[4-(3-dibenzofuran-2-ylphenyl)phenyl]-4,6-diphenyl-1,3,5-triazine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-9-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 161385869
4-dibenzofuran-2-yl-6-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171585383
2-(4-dibenzofuran-2-ylphenyl)-4,6-bis(4-phenylphenyl)-1,3,5-triazine;4-(4-dibenzofuran-2-ylphenyl)-6-[4-[3-[3,5-di(dibenzofuran-2-yl)phenyl]phenyl]phenyl]-2-phenylpyrimidine;4-(4-dibenzofuran-2-ylphenyl)-2-(3,5-diphenylphenyl)-6-pyridin-2-ylpyrimidine;4-(4-naphtho[1,2-b][1]benzofuran-6-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(4-naphtho[2,1-b][1]benzofuran-10-ylphenyl)-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 158936996
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
4-(3-dibenzofuran-4-yl-5-naphthalen-2-ylphenyl)-6-dibenzothiophen-2-yl-2-phenylpyrimidine
CID 171583346
4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 167551913
4-(3-dibenzofuran-2-ylphenyl)-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-(3-dibenzofuran-4-ylphenyl)-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-2-yl-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-4-yl-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine;4-(4-dibenzothiophen-4-ylphenyl)-6-[3,5-di(dibenzofuran-4-yl)phenyl]-2-phenylpyrimidine
CID 160847317
3-[3-dibenzofuran-1-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-dibenzofuran-2-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-dibenzofuran-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline;3-[3-dibenzothiophen-4-yl-5-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1-phenylbenzo[f]quinoline
CID 161029896
2-(3-dibenzofuran-4-ylphenyl)-4-naphtho[2,1-b][1]benzofuran-10-yl-6-(4-phenylphenyl)-1,3,5-triazine;2-(3-dibenzothiophen-2-yl-5-phenylphenyl)-4-naphtho[2,1-b][1]benzofuran-5-yl-6-phenyl-1,3,5-triazine;2-(8-naphthalen-2-yldibenzothiophen-1-yl)-4-naphtho[2,1-b][1]benzofuran-6-yl-6-phenyl-1,3,5-triazine
CID 165055091
2-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-4-(3,5-diphenylphenyl)-6-phenylpyrimidine
CID 155079414

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The IUPAC name of 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine (CID 158535425) is 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine.
What is the SMILES notation for 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The canonical SMILES for 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc6ccccc6c6oc7ccccc7c56)cc(-c5cc6ccccc6c6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccc8ccccc8c7c6c5)cc(-c5ccc6oc7ccc8ccccc8c7c6c5)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
The InChIKey is HNWQBTYHRIOLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C60H36N2O2.C58H34N2O2S/c1-3-15-37(16-4-1)38-27-29-39(30-28-38)52-36-53(62-60(61-52)40-17-5-2-6-18-40)45-32-43(50-34-41-19-7-9-21-46(41)58-56(50)48-23-11-13-25-54(48)63-58)31-44(33-45)51-35-42-20-8-10-22-47(42)59-57(51)49-24-12-14-26-55(49)64-59;1-3-11-37(12-4-1)38-19-21-41(22-20-38)52-36-53(62-60(61-52)42-15-5-2-6-16-42)47-32-45(43-25-27-54-50(34-43)58-48-17-9-7-13-39(48)23-29-56(58)63-54)31-46(33-47)44-26-28-55-51(35-44)59-49-18-10-8-14-40(49)24-30-57(59)64-55;1-2-11-35(12-3-1)58-59-50(40-14-10-13-36(27-40)37-23-26-57-49(33-37)46-17-6-9-20-56(46)63-57)34-51(60-58)43-29-41(38-21-24-54-47(31-38)44-15-4-7-18-52(44)61-54)28-42(30-43)39-22-25-55-48(32-39)45-16-5-8-19-53(45)62-55/h2*1-36H;1-34H.
What are the key properties of 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine?
4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine has a molecular weight of 2456.91 g/mol, XLogP of 49.81, 18 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis(naphtho[1,2-b][1]benzofuran-6-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[3,5-bis(naphtho[2,1-b][1]benzofuran-10-yl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-(3-dibenzothiophen-2-ylphenyl)-6-[3,5-di(dibenzofuran-2-yl)phenyl]-2-phenylpyrimidine is sourced from PubChem (CID 158535425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).