20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene

C51H30N4 — CID 121480523

About 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene (PubChem CID 121480523) has the molecular formula C51H30N4 and a molecular weight of 698.83 g/mol. Its IUPAC name is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene.

Molecular Properties

• Compound Name: 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene
• PubChem CID: 121480523
• Molecular Formula: C51H30N4
• Molecular Weight: 698.83 g/mol
• Exact Mass: 698.25
• IUPAC Name: 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c6ccccc6c6ccccc6c5cc4c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1
• InChI: InChI=1S/C51H30N4/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)55-47-29-43-39-25-13-9-21-35(39)33-19-7-11-23-37(33)41(43)27-45(47)46-28-42-38-24-12-8-20-34(38)36-22-10-14-26-40(36)44(42)30-48(46)55/h1-30H
• InChIKey: JOORTHQGXIPPJS-UHFFFAOYSA-N
• XLogP: 13.22
• TPSA: 43.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 55
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	698.83
LogP ≤ 5	13.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene?

The IUPAC name of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene (CID 121480523) is 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene.

What is the SMILES notation for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene?

The canonical SMILES for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene is c1ccc(-c2nc(-c3ccccc3)nc(-n3c4cc5c6ccccc6c6ccccc6c5cc4c4cc5c6ccccc6c6ccccc6c5cc43)n2)cc1.

What is the InChIKey of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene?

The InChIKey is JOORTHQGXIPPJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C51H30N4/c1-3-15-31(16-4-1)49-52-50(32-17-5-2-6-18-32)54-51(53-49)55-47-29-43-39-25-13-9-21-35(39)33-19-7-11-23-37(33)41(43)27-45(47)46-28-42-38-24-12-8-20-34(38)36-22-10-14-26-40(36)44(42)30-48(46)55/h1-30H.

What are the key properties of 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene?

20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene has a molecular weight of 698.83 g/mol, XLogP of 13.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 20-(4,6-diphenyl-1,3,5-triazin-2-yl)-20-azanonacyclo[19.16.0.02,19.04,17.05,10.011,16.023,36.024,29.030,35]heptatriaconta-1(21),2(19),3,5,7,9,11,13,15,17,22,24,26,28,30,32,34,36-octadecaene is sourced from PubChem (CID 121480523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).