5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline

C210H128N14O4 — CID 163540664

About 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline

5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline (PubChem CID 163540664) has the molecular formula C210H128N14O4 and a molecular weight of 2911.43 g/mol. Its IUPAC name is 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline.

Molecular Properties

• Compound Name: 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
• PubChem CID: 163540664
• Molecular Formula: C210H128N14O4
• Molecular Weight: 2911.43 g/mol
• Exact Mass: 2909.02
• IUPAC Name: 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc2cc(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)nc(-c4ccc(-c5nc6ccccc6c6c5oc5ccccc56)cc4)n3)ccc2c1
• InChI: InChI=1S/C57H35N3O.C55H33N3O.2C49H30N4O/c1-2-13-36(14-3-1)45-19-6-7-20-47(45)52-35-51(43-17-12-16-40(34-43)41-31-32-46-42(33-41)30-25-37-15-4-5-18-44(37)46)59-57(60-52)39-28-26-38(27-29-39)55-56-54(48-21-8-10-23-50(48)58-55)49-22-9-11-24-53(49)61-56;1-2-12-39-31-41(30-21-34(39)11-1)50-33-49(36-24-22-35(23-25-36)47-32-40-13-3-4-14-42(40)43-15-5-6-16-44(43)47)57-55(58-50)38-28-26-37(27-29-38)53-54-52(45-17-7-9-19-48(45)56-53)46-18-8-10-20-51(46)59-54;1-2-12-34(13-3-1)48-50-41(30-42(51-48)32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)31-22-24-33(25-23-31)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47;1-2-12-31(13-3-1)41-30-42(51-48(50-41)34-26-28-35(29-27-34)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)32-22-24-33(25-23-32)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47/h1-35H;1-33H;2*1-30H
• InChIKey: FAVLHCDIWVLUFI-UHFFFAOYSA-N
• XLogP: 55.33
• TPSA: 217.10 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 21
• Heavy Atoms: 228
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2911.43
LogP ≤ 5	55.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?

The IUPAC name of 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline (CID 163540664) is 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline.

What is the SMILES notation for 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?

The canonical SMILES for 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline is c1ccc(-c2cc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc(-c2ccccc2-c2cc(-c3cccc(-c4ccc5c(ccc6ccccc65)c4)c3)nc(-c3ccc(-c4nc5ccccc5c5c4oc4ccccc45)cc3)n2)cc1.c1ccc(-c2nc(-c3ccc(-c4nc5oc6ccccc6c5c5ccccc45)cc3)cc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)n2)cc1.c1ccc2cc(-c3cc(-c4ccc(-c5cc6ccccc6c6ccccc56)cc4)nc(-c4ccc(-c5nc6ccccc6c6c5oc5ccccc56)cc4)n3)ccc2c1.

What is the InChIKey of 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?

The InChIKey is FAVLHCDIWVLUFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H35N3O.C55H33N3O.2C49H30N4O/c1-2-13-36(14-3-1)45-19-6-7-20-47(45)52-35-51(43-17-12-16-40(34-43)41-31-32-46-42(33-41)30-25-37-15-4-5-18-44(37)46)59-57(60-52)39-28-26-38(27-29-39)55-56-54(48-21-8-10-23-50(48)58-55)49-22-9-11-24-53(49)61-56;1-2-12-39-31-41(30-21-34(39)11-1)50-33-49(36-24-22-35(23-25-36)47-32-40-13-3-4-14-42(40)43-15-5-6-16-44(43)47)57-55(58-50)38-28-26-37(27-29-38)53-54-52(45-17-7-9-19-48(45)56-53)46-18-8-10-20-51(46)59-54;1-2-12-34(13-3-1)48-50-41(30-42(51-48)32-26-28-35(29-27-32)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)31-22-24-33(25-23-31)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47;1-2-12-31(13-3-1)41-30-42(51-48(50-41)34-26-28-35(29-27-34)53-43-19-9-6-14-36(43)37-15-7-10-20-44(37)53)32-22-24-33(25-23-32)47-39-17-5-4-16-38(39)46-40-18-8-11-21-45(40)54-49(46)52-47/h1-35H;1-33H;2*1-30H.

What are the key properties of 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline?

5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline has a molecular weight of 2911.43 g/mol, XLogP of 55.33, 21 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[2-(4-carbazol-9-ylphenyl)-6-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;5-[4-[6-(4-carbazol-9-ylphenyl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[2,3-c]isoquinoline;6-[4-[4-naphthalen-2-yl-6-(4-phenanthren-9-ylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline;6-[4-[4-(3-phenanthren-2-ylphenyl)-6-(2-phenylphenyl)pyrimidin-2-yl]phenyl]-[1]benzofuro[2,3-c]quinoline is sourced from PubChem (CID 163540664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).