3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene

C54H33N5 — CID 164839319

About 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene

3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene (PubChem CID 164839319) has the molecular formula C54H33N5 and a molecular weight of 751.89 g/mol. Its IUPAC name is 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene.

Molecular Properties

• Compound Name: 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
• PubChem CID: 164839319
• Molecular Formula: C54H33N5
• Molecular Weight: 751.89 g/mol
• Exact Mass: 751.27
• IUPAC Name: 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene
• SMILES: c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c7cccc8cccc(c87)n(c34)c56)c2)cc1
• InChI: InChI=1S/C54H33N5/c1-5-16-34(17-6-1)39-32-45(35-18-7-2-8-19-35)55-46(33-39)42-27-15-26-40-41-30-31-44(49-43-28-13-24-36-25-14-29-47(48(36)43)59(50(40)42)51(41)49)54-57-52(37-20-9-3-10-21-37)56-53(58-54)38-22-11-4-12-23-38/h1-33H
• InChIKey: RXVFFBQRTJYQNC-UHFFFAOYSA-N
• XLogP: 13.57
• TPSA: 55.97 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	751.89
LogP ≤ 5	13.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

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 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

The IUPAC name of 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene (CID 164839319) is 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene.

What is the SMILES notation for 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

The canonical SMILES for 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene is c1ccc(-c2cc(-c3ccccc3)nc(-c3cccc4c5ccc(-c6nc(-c7ccccc7)nc(-c7ccccc7)n6)c6c7cccc8cccc(c87)n(c34)c56)c2)cc1.

What is the InChIKey of 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

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

What are the key properties of 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene?

3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene has a molecular weight of 751.89 g/mol, XLogP of 13.57, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4,6-diphenyl-2-pyridinyl)-11-(4,6-diphenyl-1,3,5-triazin-2-yl)-1-azahexacyclo[10.9.1.113,17.02,7.08,22.021,23]tricosa-2(7),3,5,8(22),9,11,13,15,17(23),18,20-undecaene is sourced from PubChem (CID 164839319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).