9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

C54H34N6 — CID 162483712

About 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (PubChem CID 162483712) has the molecular formula C54H34N6 and a molecular weight of 766.91 g/mol. Its IUPAC name is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

Molecular Properties

• Compound Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• PubChem CID: 162483712
• Molecular Formula: C54H34N6
• Molecular Weight: 766.91 g/mol
• Exact Mass: 766.28
• IUPAC Name: 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene
• SMILES: c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc5n34)cc2)cc1
• InChI: InChI=1S/C54H34N6/c1-5-17-35(18-6-1)36-29-31-40(32-30-36)53-55-49(37-19-7-2-8-20-37)50-42-26-14-13-25-41(42)47-46(60(50)53)34-33-45-48(47)43-27-15-16-28-44(43)59(45)54-57-51(38-21-9-3-10-22-38)56-52(58-54)39-23-11-4-12-24-39/h1-34H
• InChIKey: RIIJSOHWJAXVAD-UHFFFAOYSA-N
• XLogP: 13.26
• TPSA: 60.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	766.91
LogP ≤ 5	13.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The IUPAC name of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene (CID 162483712) is 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene.

What is the SMILES notation for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The canonical SMILES for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is c1ccc(-c2ccc(-c3nc(-c4ccccc4)c4c5ccccc5c5c6c7ccccc7n(-c7nc(-c8ccccc8)nc(-c8ccccc8)n7)c6ccc5n34)cc2)cc1.

What is the InChIKey of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

The InChIKey is RIIJSOHWJAXVAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H34N6/c1-5-17-35(18-6-1)36-29-31-40(32-30-36)53-55-49(37-19-7-2-8-20-37)50-42-26-14-13-25-41(42)47-46(60(50)53)34-33-45-48(47)43-27-15-16-28-44(43)59(45)54-57-51(38-21-9-3-10-22-38)56-52(58-54)39-23-11-4-12-24-39/h1-34H.

What are the key properties of 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene?

9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene has a molecular weight of 766.91 g/mol, XLogP of 13.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(4,6-diphenyl-1,3,5-triazin-2-yl)-17-phenyl-15-(4-phenylphenyl)-9,14,16-triazahexacyclo[11.11.0.02,10.03,8.014,18.019,24]tetracosa-1(13),2(10),3,5,7,11,15,17,19,21,23-undecaene is sourced from PubChem (CID 162483712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).