7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]

C56H36N4 — CID 163422734

About 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]

7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene] (PubChem CID 163422734) has the molecular formula C56H36N4 and a molecular weight of 764.93 g/mol. Its IUPAC name is 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene].

Molecular Properties

• Compound Name: 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]
• PubChem CID: 163422734
• Molecular Formula: C56H36N4
• Molecular Weight: 764.93 g/mol
• Exact Mass: 764.29
• IUPAC Name: 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]
• SMILES: C1=CC2=C(CC1)C1(c3cc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c2ccccc2-n2c3ccccc3c3cccc1c32
• InChI: InChI=1S/C56H36N4/c1-3-17-36(18-4-1)53-57-54(37-19-5-2-6-20-37)59-55(58-53)51-39-21-8-7-16-35(39)30-32-40(51)38-31-33-42-41-22-9-11-25-45(41)56(48(42)34-38)46-26-12-14-29-50(46)60-49-28-13-10-23-43(49)44-24-15-27-47(56)52(44)60/h1-10,12-24,26-34H,11,25H2
• InChIKey: AJVCXBOPQWAXNJ-UHFFFAOYSA-N
• XLogP: 13.55
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	764.93
LogP ≤ 5	13.55
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]?

The IUPAC name of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene] (CID 163422734) is 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene].

What is the SMILES notation for 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]?

The canonical SMILES for 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene] is C1=CC2=C(CC1)C1(c3cc(-c4ccc5ccccc5c4-c4nc(-c5ccccc5)nc(-c5ccccc5)n4)ccc32)c2ccccc2-n2c3ccccc3c3cccc1c32.

What is the InChIKey of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]?

The InChIKey is AJVCXBOPQWAXNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N4/c1-3-17-36(18-4-1)53-57-54(37-19-5-2-6-20-37)59-55(58-53)51-39-21-8-7-16-35(39)30-32-40(51)38-31-33-42-41-22-9-11-25-45(41)56(48(42)34-38)46-26-12-14-29-50(46)60-49-28-13-10-23-43(49)44-24-15-27-47(56)52(44)60/h1-10,12-24,26-34H,11,25H2.

What are the key properties of 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene]?

7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene] has a molecular weight of 764.93 g/mol, XLogP of 13.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[1-(4,6-diphenyl-1,3,5-triazin-2-yl)naphthalen-2-yl]spiro[1,2-dihydrofluorene-9,13'-1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene] is sourced from PubChem (CID 163422734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).