4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

C210H128N12O4 — CID 161214139

About 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (PubChem CID 161214139) has the molecular formula C210H128N12O4 and a molecular weight of 2883.41 g/mol. Its IUPAC name is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

Molecular Properties

• Compound Name: 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• PubChem CID: 161214139
• Molecular Formula: C210H128N12O4
• Molecular Weight: 2883.41 g/mol
• Exact Mass: 2881.02
• IUPAC Name: 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5nc(-c5cc7ccccc7c7ccccc57)c5c7ccccc7oc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)n3)cc2)cc1
• InChI: InChI=1S/C57H35N3O.3C51H31N3O/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)51-35-50(39-16-5-2-6-17-39)58-57(59-51)41-32-28-38(29-33-41)44-23-13-24-48-54(44)60-55(53-47-22-11-12-25-52(47)61-56(48)53)49-34-42-18-7-8-19-43(42)45-20-9-10-21-46(45)49;1-3-14-33(15-4-1)44-31-45(34-16-5-2-6-17-34)53-51(52-44)35-28-26-32(27-29-35)38-23-13-24-42-48(38)54-49(47-41-22-11-12-25-46(41)55-50(42)47)43-30-36-18-7-8-19-37(36)39-20-9-10-21-40(39)43;1-3-14-32(15-4-1)33-26-28-34(29-27-33)44-31-45(53-51(52-44)35-16-5-2-6-17-35)40-23-13-24-42-48(40)54-49(47-41-22-11-12-25-46(41)55-50(42)47)43-30-36-18-7-8-19-37(36)38-20-9-10-21-39(38)43;1-3-14-32(15-4-1)33-26-28-35(29-27-33)51-52-44(34-16-5-2-6-17-34)31-45(53-51)40-23-13-24-42-48(40)54-49(47-41-22-11-12-25-46(41)55-50(42)47)43-30-36-18-7-8-19-37(36)38-20-9-10-21-39(38)43/h1-35H;3*1-31H
• InChIKey: UWQASVAGLMKSKL-UHFFFAOYSA-N
• XLogP: 55.93
• TPSA: 207.24 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 21
• Heavy Atoms: 226
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2883.41
LogP ≤ 5	55.93
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 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The IUPAC name of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline (CID 161214139) is 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline.

What is the SMILES notation for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The canonical SMILES for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is c1ccc(-c2cc(-c3ccccc3)nc(-c3ccc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)cc3)n2)cc1.c1ccc(-c2ccc(-c3cc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)nc(-c4ccccc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3cc(-c4ccccc4)nc(-c4ccc(-c5cccc6c5nc(-c5cc7ccccc7c7ccccc57)c5c7ccccc7oc65)cc4)n3)cc2)cc1.c1ccc(-c2ccc(-c3nc(-c4ccccc4)cc(-c4cccc5c4nc(-c4cc6ccccc6c6ccccc46)c4c6ccccc6oc54)n3)cc2)cc1.

What is the InChIKey of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

The InChIKey is UWQASVAGLMKSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.3C51H31N3O/c1-3-14-36(15-4-1)37-26-30-40(31-27-37)51-35-50(39-16-5-2-6-17-39)58-57(59-51)41-32-28-38(29-33-41)44-23-13-24-48-54(44)60-55(53-47-22-11-12-25-52(47)61-56(48)53)49-34-42-18-7-8-19-43(42)45-20-9-10-21-46(45)49;1-3-14-33(15-4-1)44-31-45(34-16-5-2-6-17-34)53-51(52-44)35-28-26-32(27-29-35)38-23-13-24-42-48(38)54-49(47-41-22-11-12-25-46(41)55-50(42)47)43-30-36-18-7-8-19-37(36)39-20-9-10-21-40(39)43;1-3-14-32(15-4-1)33-26-28-34(29-27-33)44-31-45(53-51(52-44)35-16-5-2-6-17-35)40-23-13-24-42-48(40)54-49(47-41-22-11-12-25-46(41)55-50(42)47)43-30-36-18-7-8-19-37(36)38-20-9-10-21-39(38)43;1-3-14-32(15-4-1)33-26-28-35(29-27-33)51-52-44(34-16-5-2-6-17-34)31-45(53-51)40-23-13-24-42-48(40)54-49(47-41-22-11-12-25-46(41)55-50(42)47)43-30-36-18-7-8-19-37(36)38-20-9-10-21-39(38)43/h1-35H;3*1-31H.

What are the key properties of 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline?

4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline has a molecular weight of 2883.41 g/mol, XLogP of 55.93, 21 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-(4,6-diphenylpyrimidin-2-yl)phenyl]-6-phenanthren-9-yl-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[2-phenyl-6-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]-[1]benzofuro[3,2-c]quinoline;6-phenanthren-9-yl-4-[4-[4-phenyl-6-(4-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[3,2-c]quinoline is sourced from PubChem (CID 161214139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).