3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

C166H108N6O3 — CID 158963630

About 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine

3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (PubChem CID 158963630) has the molecular formula C166H108N6O3 and a molecular weight of 2234.73 g/mol. Its IUPAC name is 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
• PubChem CID: 158963630
• Molecular Formula: C166H108N6O3
• Molecular Weight: 2234.73 g/mol
• Exact Mass: 2232.85
• IUPAC Name: 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine
• SMILES: CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5ccc6c(c5)Cc5cc(-c7cnc8c9ccccc9c9ccccc9c8n7)ccc5-6)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6ccc(-c7cnc8c9ccccc9c9ccccc9c8n7)cc6)c5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5ccccc5-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cccc34)cc21
• InChI: InChI=1S/C56H36N2O.2C55H36N2O/c1-56(2)49-20-8-7-13-43(49)44-26-22-33(30-50(44)56)40-17-10-19-48-47-18-9-16-39(54(47)59-55(40)48)32-21-24-37-35(27-32)29-36-28-34(23-25-38(36)37)51-31-57-52-45-14-5-3-11-41(45)42-12-4-6-15-46(42)53(52)58-51;1-55(2)48-23-8-7-16-42(48)43-29-28-37(31-49(43)55)39-20-11-22-47-46-21-10-19-38(53(46)58-54(39)47)36-13-9-12-35(30-36)33-24-26-34(27-25-33)50-32-56-51-44-17-5-3-14-40(44)41-15-4-6-18-45(41)52(51)57-50;1-55(2)48-28-12-11-20-40(48)41-30-29-33(31-49(41)55)34-24-13-26-46-47-27-14-25-45(54(47)58-53(34)46)39-19-4-3-15-35(39)36-16-5-8-21-42(36)50-32-56-51-43-22-9-6-17-37(43)38-18-7-10-23-44(38)52(51)57-50/h3-28,30-31H,29H2,1-2H3;2*3-32H,1-2H3
• InChIKey: JMXRFXASBFLKOP-UHFFFAOYSA-N
• XLogP: 44.33
• TPSA: 116.76 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2234.73
LogP ≤ 5	44.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine (CID 158963630) is 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5ccc6c(c5)Cc5cc(-c7cnc8c9ccccc9c9ccccc9c8n7)ccc5-6)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5cccc(-c6ccc(-c7cnc8c9ccccc9c9ccccc9c8n7)cc6)c5)cccc34)cc21.CC1(C)c2ccccc2-c2ccc(-c3cccc4c3oc3c(-c5ccccc5-c5ccccc5-c5cnc6c7ccccc7c7ccccc7c6n5)cccc34)cc21.

What is the InChIKey of 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

The InChIKey is JMXRFXASBFLKOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N2O.2C55H36N2O/c1-56(2)49-20-8-7-13-43(49)44-26-22-33(30-50(44)56)40-17-10-19-48-47-18-9-16-39(54(47)59-55(40)48)32-21-24-37-35(27-32)29-36-28-34(23-25-38(36)37)51-31-57-52-45-14-5-3-11-41(45)42-12-4-6-15-46(42)53(52)58-51;1-55(2)48-23-8-7-16-42(48)43-29-28-37(31-49(43)55)39-20-11-22-47-46-21-10-19-38(53(46)58-54(39)47)36-13-9-12-35(30-36)33-24-26-34(27-25-33)50-32-56-51-44-17-5-3-14-40(44)41-15-4-6-18-45(41)52(51)57-50;1-55(2)48-28-12-11-20-40(48)41-30-29-33(31-49(41)55)34-24-13-26-46-47-27-14-25-45(54(47)58-53(34)46)39-19-4-3-15-35(39)36-16-5-8-21-42(36)50-32-56-51-43-22-9-6-17-37(43)38-18-7-10-23-44(38)52(51)57-50/h3-28,30-31H,29H2,1-2H3;2*3-32H,1-2H3.

What are the key properties of 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine?

3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine has a molecular weight of 2234.73 g/mol, XLogP of 44.33, 11 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[7-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]-9H-fluoren-2-yl]phenanthro[9,10-b]pyrazine;3-[2-[2-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine;3-[4-[3-[6-(9,9-dimethylfluoren-2-yl)dibenzofuran-4-yl]phenyl]phenyl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 158963630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).