9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

C58H47N5 — CID 167269120

About 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene

9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (PubChem CID 167269120) has the molecular formula C58H47N5 and a molecular weight of 814.05 g/mol. Its IUPAC name is 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

Molecular Properties

• Compound Name: 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• PubChem CID: 167269120
• Molecular Formula: C58H47N5
• Molecular Weight: 814.05 g/mol
• Exact Mass: 813.38
• IUPAC Name: 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene
• SMILES: CC1CC(C)(C)c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8ccccc78)n6)c5ccc43)cc2C1(C)C
• InChI: InChI=1S/C58H47N5/c1-36-35-57(2,3)46-31-30-41(34-47(46)58(36,4)5)62-48-24-13-11-21-44(48)52-50(62)32-33-51-53(52)45-22-12-14-25-49(45)63(51)56-60-54(40-28-26-38(27-29-40)37-16-7-6-8-17-37)59-55(61-56)43-23-15-19-39-18-9-10-20-42(39)43/h6-34,36H,35H2,1-5H3
• InChIKey: NUWWZSQIQZVKBG-UHFFFAOYSA-N
• XLogP: 14.81
• TPSA: 48.53 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	814.05
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The IUPAC name of 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene (CID 167269120) is 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene.

What is the SMILES notation for 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The canonical SMILES for 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is CC1CC(C)(C)c2ccc(-n3c4ccccc4c4c5c6ccccc6n(-c6nc(-c7ccc(-c8ccccc8)cc7)nc(-c7cccc8ccccc78)n6)c5ccc43)cc2C1(C)C.

What is the InChIKey of 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

The InChIKey is NUWWZSQIQZVKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H47N5/c1-36-35-57(2,3)46-31-30-41(34-47(46)58(36,4)5)62-48-24-13-11-21-44(48)52-50(62)32-33-51-53(52)45-22-12-14-25-49(45)63(51)56-60-54(40-28-26-38(27-29-40)37-16-7-6-8-17-37)59-55(61-56)43-23-15-19-39-18-9-10-20-42(39)43/h6-34,36H,35H2,1-5H3.

What are the key properties of 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene?

9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene has a molecular weight of 814.05 g/mol, XLogP of 14.81, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-naphthalen-1-yl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]-14-(5,5,7,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)-9,14-diazapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15,17,19-nonaene is sourced from PubChem (CID 167269120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).