8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

C30H19N3 — CID 130393406

About 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene

8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (PubChem CID 130393406) has the molecular formula C30H19N3 and a molecular weight of 421.50 g/mol. Its IUPAC name is 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

Molecular Properties

• Compound Name: 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• PubChem CID: 130393406
• Molecular Formula: C30H19N3
• Molecular Weight: 421.50 g/mol
• Exact Mass: 421.16
• IUPAC Name: 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene
• SMILES: c1cc(-c2ccc3ccccc3c2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1
• InChI: InChI=1S/C30H19N3/c1-2-9-21-18-23(16-15-20(21)8-1)22-10-7-11-24(19-22)28-25-12-3-4-13-26(25)29-30(32-28)33-17-6-5-14-27(33)31-29/h1-19H
• InChIKey: KNKKFDPHBALKEH-UHFFFAOYSA-N
• XLogP: 7.52
• TPSA: 30.19 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	421.50
LogP ≤ 5	7.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The IUPAC name of 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene (CID 130393406) is 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene.

What is the SMILES notation for 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The canonical SMILES for 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is c1cc(-c2ccc3ccccc3c2)cc(-c2nc3c(nc4ccccn43)c3ccccc23)c1.

What is the InChIKey of 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

The InChIKey is KNKKFDPHBALKEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H19N3/c1-2-9-21-18-23(16-15-20(21)8-1)22-10-7-11-24(19-22)28-25-12-3-4-13-26(25)29-30(32-28)33-17-6-5-14-27(33)31-29/h1-19H.

What are the key properties of 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene?

8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene has a molecular weight of 421.50 g/mol, XLogP of 7.52, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 8-(3-naphthalen-2-ylphenyl)-9,11,17-triazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,8,12,14,16-octaene is sourced from PubChem (CID 130393406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).