6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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]

C54H32N4 — CID 170668213

About 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 170668213) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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: 170668213
• Molecular Formula: C54H32N4
• Molecular Weight: 736.88 g/mol
• Exact Mass: 736.26
• IUPAC Name: 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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: c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)C64c5ccccc5-c5ccccc54)c4ccccc34)n2)cc1
• InChI: InChI=1S/C54H32N4/c1-3-15-34(16-4-1)51-55-52(35-17-5-2-6-18-35)57-53(56-51)40-30-32-45(39-23-8-7-20-36(39)40)58-46-28-14-27-44-49(46)50-47(58)31-29-33-19-13-26-43(48(33)50)54(44)41-24-11-9-21-37(41)38-22-10-12-25-42(38)54/h1-32H
• InChIKey: CJUISDAUFWQFPW-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 58
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	736.88
LogP ≤ 5	12.95
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 170668213) is 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 c1ccc(-c2nc(-c3ccccc3)nc(-c3ccc(-n4c5cccc6c5c5c7c(cccc7ccc54)C64c5ccccc5-c5ccccc54)c4ccccc34)n2)cc1.

What is the InChIKey of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 CJUISDAUFWQFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N4/c1-3-15-34(16-4-1)51-55-52(35-17-5-2-6-18-35)57-53(56-51)40-30-32-45(39-23-8-7-20-36(39)40)58-46-28-14-27-44-49(46)50-47(58)31-29-33-19-13-26-43(48(33)50)54(44)41-24-11-9-21-37(41)38-22-10-12-25-42(38)54/h1-32H.

What are the key properties of 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 736.88 g/mol, XLogP of 12.95, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-1-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 170668213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).