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

C236H148N12O3S — CID 161029896

About 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

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 (PubChem CID 161029896) has the molecular formula C236H148N12O3S and a molecular weight of 3231.93 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 161029896
• Molecular Formula: C236H148N12O3S
• Molecular Weight: 3231.93 g/mol
• Exact Mass: 3229.15
• IUPAC Name: 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
• SMILES: c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)cc(-c5cccc6c5sc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)c4)nc(-c4ccccc4)n3)cc2)cc1
• InChI: InChI=1S/3C59H37N3O.C59H37N3S/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)53-36-51(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-52(57)60-53;1-4-15-38(16-5-1)39-27-29-42(30-28-39)53-37-54(62-59(61-53)43-20-8-3-9-21-43)46-34-44(48-24-14-26-56-58(48)49-23-12-13-25-55(49)63-56)33-45(35-46)52-36-50(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-51(57)60-52;1-4-14-38(15-5-1)39-24-26-42(27-25-39)54-37-55(62-59(61-54)43-19-8-3-9-20-43)47-33-45(44-29-31-57-51(35-44)49-22-12-13-23-56(49)63-57)32-46(34-47)53-36-50(40-16-6-2-7-17-40)58-48-21-11-10-18-41(48)28-30-52(58)60-53;1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)53-36-51(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-52(57)60-53/h4*1-37H
• InChIKey: TZLWBXPOZSTUGW-UHFFFAOYSA-N
• XLogP: 63.45
• TPSA: 194.10 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 252
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3231.93
LogP ≤ 5	63.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)cc(-c5cccc6c5oc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)cc(-c5cccc6c5sc5ccccc56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)cc(-c5cccc6oc7ccccc7c56)c4)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4cc(-c5ccc6oc7ccccc7c6c5)cc(-c5cc(-c6ccccc6)c6c(ccc7ccccc76)n5)c4)nc(-c4ccccc4)n3)cc2)cc1.

What is the InChIKey of 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?

The InChIKey is TZLWBXPOZSTUGW-UHFFFAOYSA-N. The full InChI is InChI=1S/3C59H37N3O.C59H37N3S/c1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)53-36-51(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-52(57)60-53;1-4-15-38(16-5-1)39-27-29-42(30-28-39)53-37-54(62-59(61-53)43-20-8-3-9-21-43)46-34-44(48-24-14-26-56-58(48)49-23-12-13-25-55(49)63-56)33-45(35-46)52-36-50(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-51(57)60-52;1-4-14-38(15-5-1)39-24-26-42(27-25-39)54-37-55(62-59(61-54)43-19-8-3-9-20-43)47-33-45(44-29-31-57-51(35-44)49-22-12-13-23-56(49)63-57)32-46(34-47)53-36-50(40-16-6-2-7-17-40)58-48-21-11-10-18-41(48)28-30-52(58)60-53;1-4-15-38(16-5-1)39-27-29-42(30-28-39)54-37-55(62-59(61-54)43-20-8-3-9-21-43)46-34-44(48-24-14-25-50-49-23-12-13-26-56(49)63-58(48)50)33-45(35-46)53-36-51(40-17-6-2-7-18-40)57-47-22-11-10-19-41(47)31-32-52(57)60-53/h4*1-37H.

What are the key properties of 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?

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 has a molecular weight of 3231.93 g/mol, XLogP of 63.45, 28 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 161029896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).