14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

C54H33N5 — CID 129122421

About 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene

14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (PubChem CID 129122421) has the molecular formula C54H33N5 and a molecular weight of 751.89 g/mol. Its IUPAC name is 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

Molecular Properties

• Compound Name: 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• PubChem CID: 129122421
• Molecular Formula: C54H33N5
• Molecular Weight: 751.89 g/mol
• Exact Mass: 751.27
• IUPAC Name: 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene
• SMILES: c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n3)c2)nc2ccccc24)cc1
• InChI: InChI=1S/C54H33N5/c1-2-21-38(22-3-1)59-47-30-11-9-26-44(47)50-48(59)32-31-45-49(50)43-25-8-10-29-46(43)55-51(45)36-19-12-20-37(33-36)52-56-53(41-27-13-17-34-15-4-6-23-39(34)41)58-54(57-52)42-28-14-18-35-16-5-7-24-40(35)42/h1-33H
• InChIKey: GXYSWYWJIDPDKV-UHFFFAOYSA-N
• XLogP: 13.64
• TPSA: 56.49 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.89
LogP ≤ 5	13.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The IUPAC name of 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene (CID 129122421) is 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene.

What is the SMILES notation for 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The canonical SMILES for 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is c1ccc(-n2c3ccccc3c3c4c(ccc32)c(-c2cccc(-c3nc(-c5cccc6ccccc56)nc(-c5cccc6ccccc56)n3)c2)nc2ccccc24)cc1.

What is the InChIKey of 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

The InChIKey is GXYSWYWJIDPDKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C54H33N5/c1-2-21-38(22-3-1)59-47-30-11-9-26-44(47)50-48(59)32-31-45-49(50)43-25-8-10-29-46(43)55-51(45)36-19-12-20-37(33-36)52-56-53(41-27-13-17-34-15-4-6-23-39(34)41)58-54(57-52)42-28-14-18-35-16-5-7-24-40(35)42/h1-33H.

What are the key properties of 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene?

14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene has a molecular weight of 751.89 g/mol, XLogP of 13.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 14-[3-(4,6-dinaphthalen-1-yl-1,3,5-triazin-2-yl)phenyl]-9-phenyl-9,15-diazapentacyclo[11.8.0.02,10.03,8.016,21]henicosa-1(13),2(10),3,5,7,11,14,16,18,20-decaene is sourced from PubChem (CID 129122421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).