3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C36H23N — CID 123267685

About 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 123267685) has the molecular formula C36H23N and a molecular weight of 469.59 g/mol. Its IUPAC name is 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

• Compound Name: 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
• PubChem CID: 123267685
• Molecular Formula: C36H23N
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.18
• IUPAC Name: 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
• SMILES: c1ccc(-c2cc3ccc4cc(-c5cccc6ccccc56)cc5c4c3c(c2)n5-c2ccccc2)cc1
• InChI: InChI=1S/C36H23N/c1-3-10-24(11-4-1)28-20-26-18-19-27-21-29(32-17-9-13-25-12-7-8-16-31(25)32)23-34-36(27)35(26)33(22-28)37(34)30-14-5-2-6-15-30/h1-23H
• InChIKey: FYQSBUVIKGOXNO-UHFFFAOYSA-N
• XLogP: 9.86
• TPSA: 4.93 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.59
LogP ≤ 5	9.86
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 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

The IUPAC name of 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 123267685) is 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

What is the SMILES notation for 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

The canonical SMILES for 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is c1ccc(-c2cc3ccc4cc(-c5cccc6ccccc56)cc5c4c3c(c2)n5-c2ccccc2)cc1.

What is the InChIKey of 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

The InChIKey is FYQSBUVIKGOXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H23N/c1-3-10-24(11-4-1)28-20-26-18-19-27-21-29(32-17-9-13-25-12-7-8-16-31(25)32)23-34-36(27)35(26)33(22-28)37(34)30-14-5-2-6-15-30/h1-23H.

What are the key properties of 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene has a molecular weight of 469.59 g/mol, XLogP of 9.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 3-naphthalen-1-yl-10,15-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is sourced from PubChem (CID 123267685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).