15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

C36H23N — CID 129034406

About 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene

15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (PubChem CID 129034406) has the molecular formula C36H23N and a molecular weight of 469.59 g/mol. Its IUPAC name is 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene.

Molecular Properties

• Compound Name: 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
• PubChem CID: 129034406
• Molecular Formula: C36H23N
• Molecular Weight: 469.59 g/mol
• Exact Mass: 469.18
• IUPAC Name: 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene
• SMILES: c1ccc(-c2ccc3c4c2ccc2c(-c5ccccc5)ccc(c24)n3-c2ccc3ccccc3c2)cc1
• InChI: InChI=1S/C36H23N/c1-3-10-25(11-4-1)29-19-21-33-35-31(29)17-18-32-30(26-12-5-2-6-13-26)20-22-34(36(32)35)37(33)28-16-15-24-9-7-8-14-27(24)23-28/h1-23H
• InChIKey: HZOSLALZBPZRCJ-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 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

The IUPAC name of 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene (CID 129034406) is 15-naphthalen-2-yl-4,9-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 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

The canonical SMILES for 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene is c1ccc(-c2ccc3c4c2ccc2c(-c5ccccc5)ccc(c24)n3-c2ccc3ccccc3c2)cc1.

What is the InChIKey of 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

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

What are the key properties of 15-naphthalen-2-yl-4,9-diphenyl-15-azatetracyclo[10.2.1.05,14.08,13]pentadeca-1(14),2,4,6,8,10,12-heptaene?

15-naphthalen-2-yl-4,9-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 15-naphthalen-2-yl-4,9-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 129034406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).