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

C226H134N8O4S6 — CID 167551913

IUPAC4-(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
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C60H36N2S2.2C58H34N2O2S.C50H30N2S2/c1-2-12-39(13-3-1)60-61-54(38-24-22-37(23-25-38)50-34-42-14-4-5-15-44(42)46-16-6-7-17-47(46)50)36-55(62-60)51-32-40(41-27-30-58-52(33-41)48-18-8-10-20-56(48)63-58)26-29-45(51)43-28-31-59-53(35-43)49-19-9-11-21-57(49)64-59;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;1-2-10-37(11-3-1)58-59-50(36-20-18-35(19-21-36)38-24-27-57-49(33-38)46-14-6-9-17-56(46)63-57)34-51(60-58)43-29-41(39-22-25-54-47(31-39)44-12-4-7-15-52(44)61-54)28-42(30-43)40-23-26-55-48(32-40)45-13-5-8-16-53(45)62-55;1-2-12-32(13-3-1)44-30-45(52-50(51-44)40-18-10-14-31-11-4-5-15-36(31)40)41-27-33(34-22-25-48-42(28-34)38-16-6-8-19-46(38)53-48)21-24-37(41)35-23-26-49-43(29-35)39-17-7-9-20-47(39)54-49/h1-36H;2*1-34H;1-30H
InChIKeyCNBPZJZHNURLJF-UHFFFAOYSA-N
MW3218.01 g/mol
LogP65.51
Rot. Bonds23

About 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

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 (PubChem CID 167551913) has the molecular formula C226H134N8O4S6 and a molecular weight of 3218.01 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-(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
PubChem CID167551913
Molecular FormulaC226H134N8O4S6
Molecular Weight3218.01 g/mol
Exact Mass3214.89
IUPAC Name4-(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
SMILESc1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1
InChIInChI=1S/C60H36N2S2.2C58H34N2O2S.C50H30N2S2/c1-2-12-39(13-3-1)60-61-54(38-24-22-37(23-25-38)50-34-42-14-4-5-15-44(42)46-16-6-7-17-47(46)50)36-55(62-60)51-32-40(41-27-30-58-52(33-41)48-18-8-10-20-56(48)63-58)26-29-45(51)43-28-31-59-53(35-43)49-19-9-11-21-57(49)64-59;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;1-2-10-37(11-3-1)58-59-50(36-20-18-35(19-21-36)38-24-27-57-49(33-38)46-14-6-9-17-56(46)63-57)34-51(60-58)43-29-41(39-22-25-54-47(31-39)44-12-4-7-15-52(44)61-54)28-42(30-43)40-23-26-55-48(32-40)45-13-5-8-16-53(45)62-55;1-2-12-32(13-3-1)44-30-45(52-50(51-44)40-18-10-14-31-11-4-5-15-36(31)40)41-27-33(34-22-25-48-42(28-34)38-16-6-8-19-46(38)53-48)21-24-37(41)35-23-26-49-43(29-35)39-17-7-9-20-47(39)54-49/h1-36H;2*1-34H;1-30H
InChIKeyCNBPZJZHNURLJF-UHFFFAOYSA-N
XLogP65.51
TPSA155.68 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds23
Heavy Atoms244
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003218.01
LogP ≤ 565.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

4-dibenzothiophen-2-yl-6-[3,5-di(dibenzothiophen-2-yl)phenyl]-2-phenylpyrimidine;4-dibenzothiophen-4-yl-6-[3,5-di(dibenzothiophen-4-yl)phenyl]-2-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine;4-[2,5-di(dibenzothiophen-4-yl)phenyl]-2-naphthalen-1-yl-6-phenylpyrimidine;4-[2,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine;4-[2,5-di(dibenzothiophen-4-yl)phenyl]-6-(4-phenanthren-9-ylphenyl)-2-phenylpyrimidine
CID 157427530
2-dibenzofuran-2-yl-4-(3-dibenzothiophen-2-yl-5-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171583292
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
4-dibenzothiophen-2-yl-2-[3,5-di(dibenzofuran-2-yl)phenyl]-6-phenylpyrimidine
CID 137465858
4-dibenzofuran-2-yl-6-(3-dibenzothiophen-2-yl-5-naphthalen-2-ylphenyl)-2-phenylpyrimidine
CID 171585383
2-dibenzofuran-4-yl-4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-6-phenylpyrimidine
CID 171585439
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
2-[2,5-di(dibenzofuran-2-yl)phenyl]-4-naphthalen-1-yl-6-phenylpyrimidine
CID 123288806
4-[3,5-di(dibenzothiophen-2-yl)phenyl]-6-(4-naphthalen-1-ylphenyl)-2-phenylpyrimidine
CID 130359574
4-(3-dibenzothiophen-2-yl-5-phenylphenyl)-2-(3-naphthalen-1-ylphenyl)-6-phenylpyrimidine
CID 171585058
4-[3-dibenzofuran-2-yl-5-(3-naphthalen-1-ylphenyl)phenyl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 171583329
2-dibenzothiophen-2-yl-4-[4-(8-phenanthren-9-yldibenzofuran-1-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 134198924

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is c1ccc(-c2cc(-c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc4sc5ccccc5c4c3)nc(-c3cccc4ccccc34)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4cc5ccccc5c5ccccc45)cc3)cc(-c3cc(-c4ccc5sc6ccccc6c5c4)ccc3-c3ccc4sc5ccccc5c4c3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4ccc5sc6ccccc6c5c4)cc3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.c1ccc(-c2nc(-c3cccc(-c4ccc5sc6ccccc6c5c4)c3)cc(-c3cc(-c4ccc5oc6ccccc6c5c4)cc(-c4ccc5oc6ccccc6c5c4)c3)n2)cc1.
What is the InChIKey of 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?
The InChIKey is CNBPZJZHNURLJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H36N2S2.2C58H34N2O2S.C50H30N2S2/c1-2-12-39(13-3-1)60-61-54(38-24-22-37(23-25-38)50-34-42-14-4-5-15-44(42)46-16-6-7-17-47(46)50)36-55(62-60)51-32-40(41-27-30-58-52(33-41)48-18-8-10-20-56(48)63-58)26-29-45(51)43-28-31-59-53(35-43)49-19-9-11-21-57(49)64-59;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;1-2-10-37(11-3-1)58-59-50(36-20-18-35(19-21-36)38-24-27-57-49(33-38)46-14-6-9-17-56(46)63-57)34-51(60-58)43-29-41(39-22-25-54-47(31-39)44-12-4-7-15-52(44)61-54)28-42(30-43)40-23-26-55-48(32-40)45-13-5-8-16-53(45)62-55;1-2-12-32(13-3-1)44-30-45(52-50(51-44)40-18-10-14-31-11-4-5-15-36(31)40)41-27-33(34-22-25-48-42(28-34)38-16-6-8-19-46(38)53-48)21-24-37(41)35-23-26-49-43(29-35)39-17-7-9-20-47(39)54-49/h1-36H;2*1-34H;1-30H.
What are the key properties of 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?
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 has a molecular weight of 3218.01 g/mol, XLogP of 65.51, 23 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167551913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).