9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene

C54H32N6O — CID 162487091

About 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene

9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene (PubChem CID 162487091) has the molecular formula C54H32N6O and a molecular weight of 780.89 g/mol. Its IUPAC name is 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene.

Molecular Properties

• Compound Name: 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene
• PubChem CID: 162487091
• Molecular Formula: C54H32N6O
• Molecular Weight: 780.89 g/mol
• Exact Mass: 780.26
• IUPAC Name: 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene
• SMILES: c1ccc(-n2c3ccccc3c3c2ccc2c4ccc(Oc5ccc6c(c5)c5nccn5c5c6ccc6c5c5ccccc5n6-c5ccccc5)cc4c4nccn4c23)cc1
• InChI: InChI=1S/C54H32N6O/c1-3-11-33(12-4-1)59-45-17-9-7-15-41(45)49-47(59)25-23-39-37-21-19-35(31-43(37)53-55-27-29-57(53)51(39)49)61-36-20-22-38-40-24-26-48-50(52(40)58-30-28-56-54(58)44(38)32-36)42-16-8-10-18-46(42)60(48)34-13-5-2-6-14-34/h1-32H
• InChIKey: RBOTZNVHWKGGLA-UHFFFAOYSA-N
• XLogP: 13.58
• TPSA: 53.69 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	780.89
LogP ≤ 5	13.58
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene?

The IUPAC name of 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene (CID 162487091) is 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene.

What is the SMILES notation for 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene?

The canonical SMILES for 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene is c1ccc(-n2c3ccccc3c3c2ccc2c4ccc(Oc5ccc6c(c5)c5nccn5c5c6ccc6c5c5ccccc5n6-c5ccccc5)cc4c4nccn4c23)cc1.

What is the InChIKey of 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene?

The InChIKey is RBOTZNVHWKGGLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H32N6O/c1-3-11-33(12-4-1)59-45-17-9-7-15-41(45)49-47(59)25-23-39-37-21-19-35(31-43(37)53-55-27-29-57(53)51(39)49)61-36-20-22-38-40-24-26-48-50(52(40)58-30-28-56-54(58)44(38)32-36)42-16-8-10-18-46(42)60(48)34-13-5-2-6-14-34/h1-32H.

What are the key properties of 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene?

9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene has a molecular weight of 780.89 g/mol, XLogP of 13.58, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 9-phenyl-17-[(9-phenyl-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaen-17-yl)oxy]-9,21,24-triazahexacyclo[11.11.0.02,10.03,8.014,19.020,24]tetracosa-1(13),2(10),3,5,7,11,14(19),15,17,20,22-undecaene is sourced from PubChem (CID 162487091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).