6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]

C52H30N4 — CID 170668133

About 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]

6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] (PubChem CID 170668133) has the molecular formula C52H30N4 and a molecular weight of 710.84 g/mol. Its IUPAC name is 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene].

Molecular Properties

• Compound Name: 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
• PubChem CID: 170668133
• Molecular Formula: C52H30N4
• Molecular Weight: 710.84 g/mol
• Exact Mass: 710.25
• IUPAC Name: 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2cccc3ccc4c(c23)c2c1cccc2n4-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1
• InChI: InChI=1S/C52H30N4/c1-3-13-34-29-36(25-23-31(34)11-1)49-53-50(37-26-24-32-12-2-4-14-35(32)30-37)55-51(54-49)56-44-22-10-21-43-47(44)48-45(56)28-27-33-15-9-20-42(46(33)48)52(43)40-18-7-5-16-38(40)39-17-6-8-19-41(39)52/h1-30H
• InChIKey: PJUKYVCSMOGDIY-UHFFFAOYSA-N
• XLogP: 12.44
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	710.84
LogP ≤ 5	12.44
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?

The IUPAC name of 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] (CID 170668133) is 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene].

What is the SMILES notation for 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?

The canonical SMILES for 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2cccc3ccc4c(c23)c2c1cccc2n4-c1nc(-c2ccc3ccccc3c2)nc(-c2ccc3ccccc3c2)n1.

What is the InChIKey of 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?

The InChIKey is PJUKYVCSMOGDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H30N4/c1-3-13-34-29-36(25-23-31(34)11-1)49-53-50(37-26-24-32-12-2-4-14-35(32)30-37)55-51(54-49)56-44-22-10-21-43-47(44)48-45(56)28-27-33-15-9-20-42(46(33)48)52(43)40-18-7-5-16-38(40)39-17-6-8-19-41(39)52/h1-30H.

What are the key properties of 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene]?

6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] has a molecular weight of 710.84 g/mol, XLogP of 12.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4,6-dinaphthalen-2-yl-1,3,5-triazin-2-yl)spiro[6-azapentacyclo[12.3.1.05,17.07,16.010,15]octadeca-1(17),2,4,7(16),8,10(15),11,13-octaene-18,9'-fluorene] is sourced from PubChem (CID 170668133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).