3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine

C65H41N3 — CID 129063804

About 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine

3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine (PubChem CID 129063804) has the molecular formula C65H41N3 and a molecular weight of 864.06 g/mol. Its IUPAC name is 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine.

Molecular Properties

• Compound Name: 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
• PubChem CID: 129063804
• Molecular Formula: C65H41N3
• Molecular Weight: 864.06 g/mol
• Exact Mass: 863.33
• IUPAC Name: 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine
• SMILES: c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cnc8c9ccccc9c9ccccc9c8n7)ccc5-6)c4)ccc32)cc1
• InChI: InChI=1S/C65H41N3/c1-4-19-47(20-5-1)65(48-21-6-2-7-22-48)58-39-45(43-18-16-17-42(37-43)44-33-36-62-57(38-44)54-27-14-15-30-61(54)68(62)49-23-8-3-9-24-49)31-34-52(58)53-35-32-46(40-59(53)65)60-41-66-63-55-28-12-10-25-50(55)51-26-11-13-29-56(51)64(63)67-60/h1-41H
• InChIKey: DWFVEMFOJIUGCP-UHFFFAOYSA-N
• XLogP: 16.40
• TPSA: 30.71 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	864.06
LogP ≤ 5	16.40
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine?

The IUPAC name of 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine (CID 129063804) is 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine.

What is the SMILES notation for 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine?

The canonical SMILES for 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine is c1ccc(-n2c3ccccc3c3cc(-c4cccc(-c5ccc6c(c5)C(c5ccccc5)(c5ccccc5)c5cc(-c7cnc8c9ccccc9c9ccccc9c8n7)ccc5-6)c4)ccc32)cc1.

What is the InChIKey of 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine?

The InChIKey is DWFVEMFOJIUGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H41N3/c1-4-19-47(20-5-1)65(48-21-6-2-7-22-48)58-39-45(43-18-16-17-42(37-43)44-33-36-62-57(38-44)54-27-14-15-30-61(54)68(62)49-23-8-3-9-24-49)31-34-52(58)53-35-32-46(40-59(53)65)60-41-66-63-55-28-12-10-25-50(55)51-26-11-13-29-56(51)64(63)67-60/h1-41H.

What are the key properties of 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine?

3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine has a molecular weight of 864.06 g/mol, XLogP of 16.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[9,9-diphenyl-7-[3-(9-phenylcarbazol-3-yl)phenyl]fluoren-2-yl]phenanthro[9,10-b]pyrazine is sourced from PubChem (CID 129063804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).