4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene

C58H37N — CID 121400657

About 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene

4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene (PubChem CID 121400657) has the molecular formula C58H37N and a molecular weight of 747.94 g/mol. Its IUPAC name is 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene.

Molecular Properties

• Compound Name: 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene
• PubChem CID: 121400657
• Molecular Formula: C58H37N
• Molecular Weight: 747.94 g/mol
• Exact Mass: 747.29
• IUPAC Name: 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene
• SMILES: c1ccc(N2c3ccccc3-c3ccc(-c4ccc5ccccc5c4)cc3-c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1
• InChI: InChI=1S/C58H37N/c1-2-17-46(18-3-1)59-57-24-11-10-23-53(57)52-31-28-44(42-26-25-38-13-4-5-14-39(38)33-42)36-55(52)56-37-45(29-32-58(56)59)41-16-12-15-40(34-41)43-27-30-51-49-21-7-6-19-47(49)48-20-8-9-22-50(48)54(51)35-43/h1-37H
• InChIKey: MYOJFDYJLAPJGR-UHFFFAOYSA-N
• XLogP: 16.42
• TPSA: 3.24 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 4
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	747.94
LogP ≤ 5	16.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene?

The IUPAC name of 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene (CID 121400657) is 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene.

What is the SMILES notation for 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene?

The canonical SMILES for 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene is c1ccc(N2c3ccccc3-c3ccc(-c4ccc5ccccc5c4)cc3-c3cc(-c4cccc(-c5ccc6c7ccccc7c7ccccc7c6c5)c4)ccc32)cc1.

What is the InChIKey of 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene?

The InChIKey is MYOJFDYJLAPJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H37N/c1-2-17-46(18-3-1)59-57-24-11-10-23-53(57)52-31-28-44(42-26-25-38-13-4-5-14-39(38)33-42)36-55(52)56-37-45(29-32-58(56)59)41-16-12-15-40(34-41)43-27-30-51-49-21-7-6-19-47(49)48-20-8-9-22-50(48)54(51)35-43/h1-37H.

What are the key properties of 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene?

4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene has a molecular weight of 747.94 g/mol, XLogP of 16.42, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 4-naphthalen-2-yl-14-phenyl-18-(3-triphenylen-2-ylphenyl)-14-azatetracyclo[13.4.0.02,7.08,13]nonadeca-1(15),2(7),3,5,8,10,12,16,18-nonaene is sourced from PubChem (CID 121400657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).