4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine

C172H112N6O — CID 160704637

IUPAC4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccccc7)n6)ccc5c34)ccc21.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7oc8ccccc8c7c6)c45)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C65H42N2.C55H38N2.C52H32N2O/c1-5-18-43(19-6-1)44-32-34-45(35-33-44)61-42-62(67-64(66-61)46-20-7-2-8-21-46)48-36-38-56-57(41-48)53-27-14-13-26-52(53)55-30-17-29-51(63(55)56)47-37-39-60-58(40-47)54-28-15-16-31-59(54)65(60,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-55(2)49-23-12-11-20-44(49)48-32-39(29-31-50(48)55)41-21-13-22-45-42-18-9-10-19-43(42)47-33-40(28-30-46(47)53(41)45)52-34-51(56-54(57-52)38-16-7-4-8-17-38)37-26-24-36(25-27-37)35-14-5-3-6-15-35;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)38-26-28-44-45(31-38)41-17-8-7-16-40(41)43-20-11-19-39(51(43)44)37-27-29-50-46(30-37)42-18-9-10-21-49(42)55-50/h1-42H;3-34H,1-2H3;1-32H
InChIKeyRRBHSOBINWYCKK-UHFFFAOYSA-N
MW2278.83 g/mol
LogP45.38
Rot. Bonds17

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

4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (PubChem CID 160704637) has the molecular formula C172H112N6O and a molecular weight of 2278.83 g/mol. Its IUPAC name is 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.

Molecular Properties

Compound Name4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
PubChem CID160704637
Molecular FormulaC172H112N6O
Molecular Weight2278.83 g/mol
Exact Mass2276.89
IUPAC Name4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
SMILESCC1(C)c2ccccc2-c2cc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccccc7)n6)ccc5c34)ccc21.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7oc8ccccc8c7c6)c45)nc(-c4ccccc4)n3)cc2)cc1
InChIInChI=1S/C65H42N2.C55H38N2.C52H32N2O/c1-5-18-43(19-6-1)44-32-34-45(35-33-44)61-42-62(67-64(66-61)46-20-7-2-8-21-46)48-36-38-56-57(41-48)53-27-14-13-26-52(53)55-30-17-29-51(63(55)56)47-37-39-60-58(40-47)54-28-15-16-31-59(54)65(60,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-55(2)49-23-12-11-20-44(49)48-32-39(29-31-50(48)55)41-21-13-22-45-42-18-9-10-19-43(42)47-33-40(28-30-46(47)53(41)45)52-34-51(56-54(57-52)38-16-7-4-8-17-38)37-26-24-36(25-27-37)35-14-5-3-6-15-35;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)38-26-28-44-45(31-38)41-17-8-7-16-40(41)43-20-11-19-39(51(43)44)37-27-29-50-46(30-37)42-18-9-10-21-49(42)55-50/h1-42H;3-34H,1-2H3;1-32H
InChIKeyRRBHSOBINWYCKK-UHFFFAOYSA-N
XLogP45.38
TPSA90.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds17
Heavy Atoms179
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002278.83
LogP ≤ 545.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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Related Compounds

4-[3-(5-dibenzofuran-3-yltriphenylen-2-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-dimethylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-2-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;4-[3-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-2-yl)triphenylen-2-yl]phenyl]pyrimidine;2,4-diphenyl-6-[3-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]phenyl]pyrimidine
CID 159973968
2-(5-dibenzofuran-3-yltriphenylen-2-yl)-4,6-diphenylpyridine;2-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-4,6-diphenylpyridine;2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158138584
4-[3-dibenzofuran-2-yl-5-(3-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171583701
4-[3-(10-dibenzofuran-2-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzofuran-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-(10-dibenzothiophen-3-yltriphenylen-1-yl)phenyl]-2,6-diphenylpyrimidine;4-[3-[10-(9,9-dimethylfluoren-3-yl)triphenylen-1-yl]phenyl]-2,6-diphenylpyrimidine;3-[3-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]phenyl]-1,5-diphenylpyrazin-1-ium;2,4-diphenyl-6-[3-[10-(9,9'-spirobi[fluorene]-3-yl)triphenylen-1-yl]phenyl]pyrimidine
CID 158034989
2-dibenzofuran-2-yl-4-(9,9-dimethylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-(9,9-diphenylfluoren-3-yl)-6-phenyl-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazine;2-dibenzofuran-2-yl-4-phenyl-6-(9,9'-spirobi[fluorene]-3-yl)-1,3,5-triazine
CID 165029905
4-[3-dibenzofuran-2-yl-5-[3-(9,9-dimethylfluoren-3-yl)phenyl]phenyl]-2,6-diphenylpyrimidine
CID 171582716
4-[3-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]phenyl]-2,6-diphenylpyrimidine
CID 138599973
4-dibenzofuran-3-yl-6-[3-dibenzofuran-2-yl-5-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 154950195
4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2,6-diphenylpyridine;2,6-diphenyl-4-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyridine
CID 158530956
4-[10-(9,9-diphenylfluoren-3-yl)triphenylen-1-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine
CID 138600008
2,4-diphenyl-6-[5-(9,9'-spirobi[fluorene]-3-yl)triphenylen-2-yl]pyrimidine
CID 138600218
4-[3-dibenzofuran-2-yl-5-(2-phenylphenyl)phenyl]-6-[3-(9,9-dimethylfluoren-3-yl)phenyl]-2-phenylpyrimidine
CID 171584389

Frequently Asked Questions

What is the IUPAC name of 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The IUPAC name of 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine (CID 160704637) is 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine.
What is the SMILES notation for 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The canonical SMILES for 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is CC1(C)c2ccccc2-c2cc(-c3cccc4c5ccccc5c5cc(-c6cc(-c7ccc(-c8ccccc8)cc7)nc(-c7ccccc7)n6)ccc5c34)ccc21.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7c(c6)-c6ccccc6C7(c6ccccc6)c6ccccc6)c45)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccc5c(c4)c4ccccc4c4cccc(-c6ccc7oc8ccccc8c7c6)c45)nc(-c4ccccc4)n3)cc2)cc1.
What is the InChIKey of 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
The InChIKey is RRBHSOBINWYCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H42N2.C55H38N2.C52H32N2O/c1-5-18-43(19-6-1)44-32-34-45(35-33-44)61-42-62(67-64(66-61)46-20-7-2-8-21-46)48-36-38-56-57(41-48)53-27-14-13-26-52(53)55-30-17-29-51(63(55)56)47-37-39-60-58(40-47)54-28-15-16-31-59(54)65(60,49-22-9-3-10-23-49)50-24-11-4-12-25-50;1-55(2)49-23-12-11-20-44(49)48-32-39(29-31-50(48)55)41-21-13-22-45-42-18-9-10-19-43(42)47-33-40(28-30-46(47)53(41)45)52-34-51(56-54(57-52)38-16-7-4-8-17-38)37-26-24-36(25-27-37)35-14-5-3-6-15-35;1-3-12-33(13-4-1)34-22-24-35(25-23-34)47-32-48(54-52(53-47)36-14-5-2-6-15-36)38-26-28-44-45(31-38)41-17-8-7-16-40(41)43-20-11-19-39(51(43)44)37-27-29-50-46(30-37)42-18-9-10-21-49(42)55-50/h1-42H;3-34H,1-2H3;1-32H.
What are the key properties of 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine?
4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine has a molecular weight of 2278.83 g/mol, XLogP of 45.38, 17 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-dibenzofuran-2-yltriphenylen-2-yl)-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-dimethylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine;4-[5-(9,9-diphenylfluoren-3-yl)triphenylen-2-yl]-2-phenyl-6-(4-phenylphenyl)pyrimidine is sourced from PubChem (CID 160704637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).