18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene

C66H39N7 — CID 164839267

About 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene

18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (PubChem CID 164839267) has the molecular formula C66H39N7 and a molecular weight of 930.09 g/mol. Its IUPAC name is 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

Molecular Properties

• Compound Name: 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• PubChem CID: 164839267
• Molecular Formula: C66H39N7
• Molecular Weight: 930.09 g/mol
• Exact Mass: 929.33
• IUPAC Name: 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene
• SMILES: c1ccc(-c2nc(-c3ccc(-c4cc5c6cccc7c(-c8nc(-c9ccccc9)nc(-c9cccc%10ccccc9%10)n8)ccc(c76)n6c7ccccc7c(c4)c56)cc3)nc(-c3cccc4ccccc34)n2)cc1
• InChI: InChI=1S/C66H39N7/c1-3-18-43(19-4-1)61-67-63(71-64(68-61)52-29-13-22-41-16-7-9-24-47(41)52)45-34-32-40(33-35-45)46-38-55-49-26-11-12-31-57(49)73-58-37-36-54(50-27-15-28-51(59(50)58)56(39-46)60(55)73)66-70-62(44-20-5-2-6-21-44)69-65(72-66)53-30-14-23-42-17-8-10-25-48(42)53/h1-39H
• InChIKey: PDXNWODOWPXVSQ-UHFFFAOYSA-N
• XLogP: 16.34
• TPSA: 81.75 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	930.09
LogP ≤ 5	16.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The IUPAC name of 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene (CID 164839267) is 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene.

What is the SMILES notation for 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The canonical SMILES for 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is c1ccc(-c2nc(-c3ccc(-c4cc5c6cccc7c(-c8nc(-c9ccccc9)nc(-c9cccc%10ccccc9%10)n8)ccc(c76)n6c7ccccc7c(c4)c56)cc3)nc(-c3cccc4ccccc34)n2)cc1.

What is the InChIKey of 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

The InChIKey is PDXNWODOWPXVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C66H39N7/c1-3-18-43(19-4-1)61-67-63(71-64(68-61)52-29-13-22-41-16-7-9-24-47(41)52)45-34-32-40(33-35-45)46-38-55-49-26-11-12-31-57(49)73-58-37-36-54(50-27-15-28-51(59(50)58)56(39-46)60(55)73)66-70-62(44-20-5-2-6-21-44)69-65(72-66)53-30-14-23-42-17-8-10-25-48(42)53/h1-39H.

What are the key properties of 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene?

18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene has a molecular weight of 930.09 g/mol, XLogP of 16.34, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 18-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)-10-[4-(4-naphthalen-1-yl-6-phenyl-1,3,5-triazin-2-yl)phenyl]-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2,4,6,8(22),9,11,13,15,17,19,21(23)-undecaene is sourced from PubChem (CID 164839267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).