5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine

C60H44N2 — CID 90848407

About 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine

5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine (PubChem CID 90848407) has the molecular formula C60H44N2 and a molecular weight of 793.03 g/mol. Its IUPAC name is 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine.

Molecular Properties

• Compound Name: 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine
• PubChem CID: 90848407
• Molecular Formula: C60H44N2
• Molecular Weight: 793.03 g/mol
• Exact Mass: 792.35
• IUPAC Name: 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine
• SMILES: Cc1ccc2c(c1)C(C)(C)c1cc(C=Cc3ccc4cc(-c5ccc6c(ccc7cc(N8c9ccccc9N(c9ccccc9)c9ccccc98)ccc76)c5)ccc4c3)ccc1-2
• InChI: InChI=1S/C60H44N2/c1-39-17-29-52-53-30-21-41(35-55(53)60(2,3)54(52)33-39)19-18-40-20-22-43-36-44(24-23-42(43)34-40)45-27-31-50-46(37-45)25-26-47-38-49(28-32-51(47)50)62-58-15-9-7-13-56(58)61(48-11-5-4-6-12-48)57-14-8-10-16-59(57)62/h4-38H,1-3H3
• InChIKey: BYQVIVCBHCKUPM-UHFFFAOYSA-N
• XLogP: 16.85
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	793.03
LogP ≤ 5	16.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine?

The IUPAC name of 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine (CID 90848407) is 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine.

What is the SMILES notation for 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine?

The canonical SMILES for 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine is Cc1ccc2c(c1)C(C)(C)c1cc(C=Cc3ccc4cc(-c5ccc6c(ccc7cc(N8c9ccccc9N(c9ccccc9)c9ccccc98)ccc76)c5)ccc4c3)ccc1-2.

What is the InChIKey of 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine?

The InChIKey is BYQVIVCBHCKUPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C60H44N2/c1-39-17-29-52-53-30-21-41(35-55(53)60(2,3)54(52)33-39)19-18-40-20-22-43-36-44(24-23-42(43)34-40)45-27-31-50-46(37-45)25-26-47-38-49(28-32-51(47)50)62-58-15-9-7-13-56(58)61(48-11-5-4-6-12-48)57-14-8-10-16-59(57)62/h4-38H,1-3H3.

What are the key properties of 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine?

5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine has a molecular weight of 793.03 g/mol, XLogP of 16.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-10-[7-[6-[2-(7,9,9-trimethylfluoren-2-yl)ethenyl]naphthalen-2-yl]phenanthren-2-yl]phenazine is sourced from PubChem (CID 90848407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).