2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine

C148H92N8O2S — CID 158043860

IUPAC2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc4oc5ccccc5c34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C51H31N3O.C51H31N3S.C46H30N2O/c2*1-3-13-33(14-4-1)49-52-50(34-15-5-2-6-16-34)54-51(53-49)35-25-23-32(24-26-35)37-29-30-46-48(43-21-11-12-22-45(43)55-46)47(37)36-27-28-42-40-19-8-7-17-38(40)39-18-9-10-20-41(39)44(42)31-36;1-4-12-31(13-5-1)32-20-26-36(27-21-32)44-38(28-29-43-45(44)39-18-10-11-19-42(39)49-43)33-22-24-35(25-23-33)41-30-40(34-14-6-2-7-15-34)47-46(48-41)37-16-8-3-9-17-37/h2*1-31H;1-30H
InChIKeyFIRDPLIVCVWGFL-UHFFFAOYSA-N
MW2046.48 g/mol
LogP39.98
Rot. Bonds16

About 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine

2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine (PubChem CID 158043860) has the molecular formula C148H92N8O2S and a molecular weight of 2046.48 g/mol. Its IUPAC name is 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine
PubChem CID158043860
Molecular FormulaC148H92N8O2S
Molecular Weight2046.48 g/mol
Exact Mass2044.71
IUPAC Name2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine
SMILESc1ccc(-c2ccc(-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc4oc5ccccc5c34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1
InChIInChI=1S/C51H31N3O.C51H31N3S.C46H30N2O/c2*1-3-13-33(14-4-1)49-52-50(34-15-5-2-6-16-34)54-51(53-49)35-25-23-32(24-26-35)37-29-30-46-48(43-21-11-12-22-45(43)55-46)47(37)36-27-28-42-40-19-8-7-17-38(40)39-18-9-10-20-41(39)44(42)31-36;1-4-12-31(13-5-1)32-20-26-36(27-21-32)44-38(28-29-43-45(44)39-18-10-11-19-42(39)49-43)33-22-24-35(25-23-33)41-30-40(34-14-6-2-7-15-34)47-46(48-41)37-16-8-3-9-17-37/h2*1-31H;1-30H
InChIKeyFIRDPLIVCVWGFL-UHFFFAOYSA-N
XLogP39.98
TPSA129.40 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds16
Heavy Atoms159
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002046.48
LogP ≤ 539.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine with MolForge

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Related Compounds

2,4-diphenyl-6-(2-triphenylen-2-yldibenzothiophen-1-yl)pyrimidine
CID 149499193
2,4-diphenyl-6-(1-triphenylen-2-yldibenzofuran-2-yl)-1,3,5-triazine
CID 142491356
2,4-diphenyl-6-(2-triphenylen-2-yldibenzothiophen-1-yl)-1,3,5-triazine
CID 147282825
2-dibenzofuran-2-yl-4-(2-dibenzothiophen-1-yldibenzofuran-1-yl)-6-phenyl-1,3,5-triazine
CID 166743290
2-[3-[1-[3-(4,6-diphenylpyrimidin-2-yl)phenyl]dibenzofuran-2-yl]phenyl]-4,6-diphenylpyrimidine
CID 163578711
2-[4-[2-(4-phenanthren-2-ylphenyl)dibenzothiophen-1-yl]phenyl]-4,6-diphenyl-1,3,5-triazine
CID 142491022
2-dibenzofuran-1-yl-4-[4-[8-(4,6-diphenylpyrimidin-2-yl)dibenzothiophen-3-yl]phenyl]-6-phenyl-1,3,5-triazine
CID 155329006
2-[1-(4-phenanthren-9-ylphenyl)dibenzofuran-2-yl]-4,6-diphenylpyrimidine
CID 142491327
4-(1-dibenzothiophen-2-yldibenzofuran-4-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 158120432
2-dibenzofuran-4-yl-4-[1-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzothiophen-2-yl]-6-phenyl-1,3,5-triazine
CID 153289598
4-(4-dibenzothiophen-2-yldibenzofuran-1-yl)-6-phenyl-2-[4-(4-phenylphenyl)phenyl]pyrimidine
CID 157201681
2-dibenzofuran-2-yl-4-[4-(1-dibenzothiophen-1-yldibenzofuran-4-yl)phenyl]-6-phenyl-1,3,5-triazine
CID 155079039

Frequently Asked Questions

What is the IUPAC name of 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine?
The IUPAC name of 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine (CID 158043860) is 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine?
The canonical SMILES for 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine is c1ccc(-c2ccc(-c3c(-c4ccc(-c5cc(-c6ccccc6)nc(-c6ccccc6)n5)cc4)ccc4oc5ccccc5c34)cc2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5oc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-c4ccc5sc6ccccc6c5c4-c4ccc5c6ccccc6c6ccccc6c5c4)cc3)n2)cc1.
What is the InChIKey of 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine?
The InChIKey is FIRDPLIVCVWGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H31N3O.C51H31N3S.C46H30N2O/c2*1-3-13-33(14-4-1)49-52-50(34-15-5-2-6-16-34)54-51(53-49)35-25-23-32(24-26-35)37-29-30-46-48(43-21-11-12-22-45(43)55-46)47(37)36-27-28-42-40-19-8-7-17-38(40)39-18-9-10-20-41(39)44(42)31-36;1-4-12-31(13-5-1)32-20-26-36(27-21-32)44-38(28-29-43-45(44)39-18-10-11-19-42(39)49-43)33-22-24-35(25-23-33)41-30-40(34-14-6-2-7-15-34)47-46(48-41)37-16-8-3-9-17-37/h2*1-31H;1-30H.
What are the key properties of 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine?
2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine has a molecular weight of 2046.48 g/mol, XLogP of 39.98, 16 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diphenyl-6-[4-[1-(4-phenylphenyl)dibenzofuran-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzofuran-2-yl)phenyl]-1,3,5-triazine;2,4-diphenyl-6-[4-(1-triphenylen-2-yldibenzothiophen-2-yl)phenyl]-1,3,5-triazine is sourced from PubChem (CID 158043860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).