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

C₁₅₅H₉₄N₈O₃S — CID 163998824

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

6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (PubChem CID 163998824) has the molecular formula C₁₅₅H₉₄N₈O₃S and a molecular weight of 2148.58 g/mol. Its IUPAC name is 6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.

Molecular Properties

• Compound Name: 6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
• PubChem CID: 163998824
• Molecular Formula: C₁₅₅H₉₄N₈O₃S
• Molecular Weight: 2148.58 g/mol
• Exact Mass: 2146.72
• IUPAC Name: 6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline
• SMILES: c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3ccc(-c4nc5ccccc5c5oc6ccccc6c45)cc3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5oc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)cc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)c4ccccc34)n2)cc1
• InChI: InChI=1S/C55H33N3O.C50H31N3O.C50H30N2OS/c1-2-14-35(15-3-1)55-56-49(38-16-12-17-39(32-38)52-46-21-8-9-22-47(46)54-53(58-52)48-23-10-11-24-51(48)59-54)33-50(57-55)45-30-29-42(43-19-6-7-20-44(43)45)37-27-28-41-36(31-37)26-25-34-13-4-5-18-40(34)41;1-2-12-32(13-3-1)36-30-43(51-44(31-36)34-26-28-37(29-27-34)53-45-19-9-5-14-38(45)39-15-6-10-20-46(39)53)33-22-24-35(25-23-33)49-48-41-17-7-11-21-47(41)54-50(48)40-16-4-8-18-42(40)52-49;1-2-11-31(12-3-1)36-29-43(33-23-21-32(22-24-33)37-16-10-17-39-38-13-6-9-20-46(38)54-50(37)39)51-44(30-36)34-25-27-35(28-26-34)48-47-41-15-5-8-19-45(41)53-49(47)40-14-4-7-18-42(40)52-48/h1-33H;1-31H;1-30H
• InChIKey: UHCMHCHYXROLKX-UHFFFAOYSA-N
• XLogP: 42.25
• TPSA: 134.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 15
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2148.58
LogP ≤ 5	42.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline (CID 163998824) is 6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline.

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

The canonical SMILES for 6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is c1ccc(-c2cc(-c3ccc(-c4cccc5c4sc4ccccc45)cc3)nc(-c3ccc(-c4nc5ccccc5c5oc6ccccc6c45)cc3)c2)cc1.c1ccc(-c2cc(-c3ccc(-c4nc5ccccc5c5oc6ccccc6c45)cc3)nc(-c3ccc(-n4c5ccccc5c5ccccc54)cc3)c2)cc1.c1ccc(-c2nc(-c3cccc(-c4nc5c6ccccc6oc5c5ccccc45)c3)cc(-c3ccc(-c4ccc5c(ccc6ccccc65)c4)c4ccccc34)n2)cc1.

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

The InChIKey is UHCMHCHYXROLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H33N3O.C50H31N3O.C50H30N2OS/c1-2-14-35(15-3-1)55-56-49(38-16-12-17-39(32-38)52-46-21-8-9-22-47(46)54-53(58-52)48-23-10-11-24-51(48)59-54)33-50(57-55)45-30-29-42(43-19-6-7-20-44(43)45)37-27-28-41-36(31-37)26-25-34-13-4-5-18-40(34)41;1-2-12-32(13-3-1)36-30-43(51-44(31-36)34-26-28-37(29-27-34)53-45-19-9-5-14-38(45)39-15-6-10-20-46(39)53)33-22-24-35(25-23-33)49-48-41-17-7-11-21-47(41)54-50(48)40-16-4-8-18-42(40)52-49;1-2-11-31(12-3-1)36-29-43(33-23-21-32(22-24-33)37-16-10-17-39-38-13-6-9-20-46(38)54-50(37)39)51-44(30-36)34-25-27-35(28-26-34)48-47-41-15-5-8-19-45(41)53-49(47)40-14-4-7-18-42(40)52-48/h1-33H;1-31H;1-30H.

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

6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline has a molecular weight of 2148.58 g/mol, XLogP of 42.25, 15 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[6-(4-carbazol-9-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;6-[4-[6-(4-dibenzothiophen-4-ylphenyl)-4-phenyl-2-pyridinyl]phenyl]-[1]benzofuro[3,2-c]quinoline;5-[3-[6-(4-phenanthren-2-ylnaphthalen-1-yl)-2-phenylpyrimidin-4-yl]phenyl]-[1]benzofuro[3,2-c]isoquinoline is sourced from PubChem (CID 163998824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163998824 — identifiers, structure, computed properties (public domain)

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