9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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

C61H40N8 — CID 155183579

About 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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 155183579) has the molecular formula C61H40N8 and a molecular weight of 885.05 g/mol. Its IUPAC name is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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: 155183579
• Molecular Formula: C61H40N8
• Molecular Weight: 885.05 g/mol
• Exact Mass: 884.34
• IUPAC Name: 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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: Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5ccc43)n2)c1
• InChI: InChI=1S/C61H40N8/c1-39-20-19-27-43(38-39)59-63-58(42-25-9-4-10-26-42)66-61(67-59)47-31-14-18-35-51(47)69-49-33-16-12-29-45(49)55-53(69)37-36-52-54(55)44-28-11-15-32-48(44)68(52)50-34-17-13-30-46(50)60-64-56(40-21-5-2-6-22-40)62-57(65-60)41-23-7-3-8-24-41/h2-38H,1H3
• InChIKey: UFMXDCYDSHBSBP-UHFFFAOYSA-N
• XLogP: 14.56
• TPSA: 87.20 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	885.05
LogP ≤ 5	14.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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 155183579) is 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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 Cc1cccc(-c2nc(-c3ccccc3)nc(-c3ccccc3-n3c4ccccc4c4c5c6ccccc6n(-c6ccccc6-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c5ccc43)n2)c1.

What is the InChIKey of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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 UFMXDCYDSHBSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C61H40N8/c1-39-20-19-27-43(38-39)59-63-58(42-25-9-4-10-26-42)66-61(67-59)47-31-14-18-35-51(47)69-49-33-16-12-29-45(49)55-53(69)37-36-52-54(55)44-28-11-15-32-48(44)68(52)50-34-17-13-30-46(50)60-64-56(40-21-5-2-6-22-40)62-57(65-60)41-23-7-3-8-24-41/h2-38H,1H3.

What are the key properties of 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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 885.05 g/mol, XLogP of 14.56, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[2-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]-14-[2-[4-(3-methylphenyl)-6-phenyl-1,3,5-triazin-2-yl]phenyl]-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 155183579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).