10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

C54H32N4 — CID 90307264

About 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]

10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (PubChem CID 90307264) has the molecular formula C54H32N4 and a molecular weight of 736.88 g/mol. Its IUPAC name is 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

Molecular Properties

• Compound Name: 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• PubChem CID: 90307264
• Molecular Formula: C54H32N4
• Molecular Weight: 736.88 g/mol
• Exact Mass: 736.26
• IUPAC Name: 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]
• SMILES: c1ccc2c(c1)-c1ccccc1C21c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc1c32
• InChI: InChI=1S/C54H32N4/c1-3-19-36-33(15-1)17-13-24-41(36)52-55-51(56-53(57-52)42-25-14-18-34-16-2-4-20-37(34)42)35-31-43-40-23-7-11-29-48(40)58-49-30-12-10-28-46(49)54(47(32-35)50(43)58)44-26-8-5-21-38(44)39-22-6-9-27-45(39)54/h1-32H
• InChIKey: ASPKGYLRUSYTSX-UHFFFAOYSA-N
• XLogP: 12.95
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• 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 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The IUPAC name of 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] (CID 90307264) is 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene].

What is the SMILES notation for 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

The canonical SMILES for 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is c1ccc2c(c1)-c1ccccc1C21c2ccccc2-n2c3ccccc3c3cc(-c4nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n4)cc1c32.

What is the InChIKey of 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

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

What are the key properties of 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene]?

10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] has a molecular weight of 736.88 g/mol, XLogP of 12.95, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 10-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,9'-fluorene] is sourced from PubChem (CID 90307264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).