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

C56H36N6 — CID 169037372

About 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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 169037372) has the molecular formula C56H36N6 and a molecular weight of 792.95 g/mol. Its IUPAC name is 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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: 169037372
• Molecular Formula: C56H36N6
• Molecular Weight: 792.95 g/mol
• Exact Mass: 792.30
• IUPAC Name: 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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: c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7-c7cccc(-c8ccccc8)n7)c6ccc54)n3)c2)cc1
• InChI: InChI=1S/C56H36N6/c1-4-18-37(19-5-1)40-24-16-25-41(36-40)55-58-54(39-22-8-3-9-23-39)59-56(60-55)62-49-33-15-12-28-44(49)53-51(62)35-34-50-52(53)43-27-11-14-32-48(43)61(50)47-31-13-10-26-42(47)46-30-17-29-45(57-46)38-20-6-2-7-21-38/h1-36H
• InChIKey: OJHITQTXYGMKQK-UHFFFAOYSA-N
• XLogP: 13.80
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 62
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	792.95
LogP ≤ 5	13.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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 169037372) is 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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 c1ccc(-c2cccc(-c3nc(-c4ccccc4)nc(-n4c5ccccc5c5c6c7ccccc7n(-c7ccccc7-c7cccc(-c8ccccc8)n7)c6ccc54)n3)c2)cc1.

What is the InChIKey of 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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 OJHITQTXYGMKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H36N6/c1-4-18-37(19-5-1)40-24-16-25-41(36-40)55-58-54(39-22-8-3-9-23-39)59-56(60-55)62-49-33-15-12-28-44(49)53-51(62)35-34-50-52(53)43-27-11-14-32-48(43)61(50)47-31-13-10-26-42(47)46-30-17-29-45(57-46)38-20-6-2-7-21-38/h1-36H.

What are the key properties of 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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 792.95 g/mol, XLogP of 13.80, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-[4-phenyl-6-(3-phenylphenyl)-1,3,5-triazin-2-yl]-14-[2-(6-phenyl-2-pyridinyl)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 169037372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).