13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene

C57H37N7+2 — CID 123551646

About 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene

13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene (PubChem CID 123551646) has the molecular formula C57H37N7+2 and a molecular weight of 819.97 g/mol. Its IUPAC name is 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene.

Molecular Properties

• Compound Name: 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene
• PubChem CID: 123551646
• Molecular Formula: C57H37N7+2
• Molecular Weight: 819.97 g/mol
• Exact Mass: 819.31
• IUPAC Name: 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene
• SMILES: C1=CC2=[N+](c3ccccc3)c3cc(-c4nc(-c5ccccc5)nc(-c5cc6c7c(c5)c5ccccc5n7C5C=CC=CC5=[N+]6c5ccccc5)n4)cc4c5ccccc5n(c34)C2C=C1
• InChI: InChI=1S/C57H37N7/c1-4-18-36(19-5-1)55-58-56(37-32-43-41-24-10-12-26-45(41)63-49-30-16-14-28-47(49)61(51(34-37)53(43)63)39-20-6-2-7-21-39)60-57(59-55)38-33-44-42-25-11-13-27-46(42)64-50-31-17-15-29-48(50)62(52(35-38)54(44)64)40-22-8-3-9-23-40/h1-35,49-50H/q+2
• InChIKey: WWOHFYGBPTXPBG-UHFFFAOYSA-N
• XLogP: 13.00
• TPSA: 54.55 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	819.97
LogP ≤ 5	13.00
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene?

The IUPAC name of 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene (CID 123551646) is 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene.

What is the SMILES notation for 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene?

The canonical SMILES for 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene is C1=CC2=[N+](c3ccccc3)c3cc(-c4nc(-c5ccccc5)nc(-c5cc6c7c(c5)c5ccccc5n7C5C=CC=CC5=[N+]6c5ccccc5)n4)cc4c5ccccc5n(c34)C2C=C1.

What is the InChIKey of 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene?

The InChIKey is WWOHFYGBPTXPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H37N7/c1-4-18-36(19-5-1)55-58-56(37-32-43-41-24-10-12-26-45(41)63-49-30-16-14-28-47(49)61(51(34-37)53(43)63)39-20-6-2-7-21-39)60-57(59-55)38-33-44-42-25-11-13-27-46(42)64-50-31-17-15-29-48(50)62(52(35-38)54(44)64)40-22-8-3-9-23-40/h1-35,49-50H/q+2.

What are the key properties of 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene?

13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene has a molecular weight of 819.97 g/mol, XLogP of 13.00, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 13-phenyl-10-[4-phenyl-6-(13-phenyl-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaen-10-yl)-1,3,5-triazin-2-yl]-1-aza-13-azoniapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,13,15,17-nonaene is sourced from PubChem (CID 123551646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).