6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole

C61H37FN2 — CID 88886623

About 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole

6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole (PubChem CID 88886623) has the molecular formula C61H37FN2 and a molecular weight of 816.98 g/mol. Its IUPAC name is 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole.

Molecular Properties

• Compound Name: 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole
• PubChem CID: 88886623
• Molecular Formula: C61H37FN2
• Molecular Weight: 816.98 g/mol
• Exact Mass: 816.29
• IUPAC Name: 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole
• SMILES: Fc1cc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc4c3)c3ccccc23)ccc1-c1cc2ccccc2c2ccccc12
• InChI: InChI=1S/C61H37FN2/c62-57-36-44(26-28-49(57)55-35-42-12-4-5-15-46(42)47-16-6-7-17-48(47)55)61-53-20-10-8-18-51(53)60(52-19-9-11-21-54(52)61)43-25-24-38-32-39(22-23-40(38)33-43)41-27-29-58-56(34-41)50-30-31-63-37-59(50)64(58)45-13-2-1-3-14-45/h1-37H
• InChIKey: SRZYANKNUAUMEZ-UHFFFAOYSA-N
• XLogP: 16.75
• TPSA: 17.82 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	816.98
LogP ≤ 5	16.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole?

The IUPAC name of 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole (CID 88886623) is 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole.

What is the SMILES notation for 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole?

The canonical SMILES for 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole is Fc1cc(-c2c3ccccc3c(-c3ccc4cc(-c5ccc6c(c5)c5ccncc5n6-c5ccccc5)ccc4c3)c3ccccc23)ccc1-c1cc2ccccc2c2ccccc12.

What is the InChIKey of 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole?

The InChIKey is SRZYANKNUAUMEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H37FN2/c62-57-36-44(26-28-49(57)55-35-42-12-4-5-15-46(42)47-16-6-7-17-48(47)55)61-53-20-10-8-18-51(53)60(52-19-9-11-21-54(52)61)43-25-24-38-32-39(22-23-40(38)33-43)41-27-29-58-56(34-41)50-30-31-63-37-59(50)64(58)45-13-2-1-3-14-45/h1-37H.

What are the key properties of 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole?

6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole has a molecular weight of 816.98 g/mol, XLogP of 16.75, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[6-[10-(3-fluoro-4-phenanthren-9-ylphenyl)anthracen-9-yl]naphthalen-2-yl]-9-phenylpyrido[3,4-b]indole is sourced from PubChem (CID 88886623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).