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

C50H32N6 — CID 156554562

About 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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 156554562) has the molecular formula C50H32N6 and a molecular weight of 716.85 g/mol. Its IUPAC name is 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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: 156554562
• Molecular Formula: C50H32N6
• Molecular Weight: 716.85 g/mol
• Exact Mass: 716.27
• IUPAC Name: 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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: c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)n4)c3)n2)cc1
• InChI: InChI=1S/C50H32N6/c1-4-16-33(17-5-1)40-26-15-27-41(51-40)35-20-14-21-36(32-35)49-52-48(34-18-6-2-7-19-34)53-50(54-49)56-43-29-13-11-25-39(43)47-45(56)31-30-44-46(47)38-24-10-12-28-42(38)55(44)37-22-8-3-9-23-37/h1-32H
• InChIKey: YAEQUGNHHSGNRH-UHFFFAOYSA-N
• XLogP: 12.13
• TPSA: 61.42 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 56
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	716.85
LogP ≤ 5	12.13
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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 156554562) is 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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 c1ccc(-c2cccc(-c3cccc(-c4nc(-c5ccccc5)nc(-n5c6ccccc6c6c7c8ccccc8n(-c8ccccc8)c7ccc65)n4)c3)n2)cc1.

What is the InChIKey of 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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 YAEQUGNHHSGNRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H32N6/c1-4-16-33(17-5-1)40-26-15-27-41(51-40)35-20-14-21-36(32-35)49-52-48(34-18-6-2-7-19-34)53-50(54-49)56-43-29-13-11-25-39(43)47-45(56)31-30-44-46(47)38-24-10-12-28-42(38)55(44)37-22-8-3-9-23-37/h1-32H.

What are the key properties of 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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 716.85 g/mol, XLogP of 12.13, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-14-[4-phenyl-6-[3-(6-phenyl-2-pyridinyl)phenyl]-1,3,5-triazin-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 156554562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).