2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene

C69H50N8 — CID 123621880

About 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene (PubChem CID 123621880) has the molecular formula C69H50N8 and a molecular weight of 991.22 g/mol. Its IUPAC name is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene.

Molecular Properties

• Compound Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
• PubChem CID: 123621880
• Molecular Formula: C69H50N8
• Molecular Weight: 991.22 g/mol
• Exact Mass: 990.42
• IUPAC Name: 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene
• SMILES: c1ccc(-c2nc(-c3ccccc3)nc(N3c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc3c4)n2)cc1
• InChI: InChI=1S/C69H50N8/c1-7-24-51(25-8-1)67-70-68(52-26-9-2-10-27-52)72-69(71-67)77-65-44-22-42-63(49-65)75(55-32-15-5-16-33-55)61-40-20-38-59(47-61)73(53-28-11-3-12-29-53)57-36-19-37-58(46-57)74(54-30-13-4-14-31-54)60-39-21-41-62(48-60)76(56-34-17-6-18-35-56)64-43-23-45-66(77)50-64/h1-50H
• InChIKey: WTECJQIVHVSSHF-UHFFFAOYSA-N
• XLogP: 18.87
• TPSA: 54.87 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	991.22
LogP ≤ 5	18.87
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?

The IUPAC name of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene (CID 123621880) is 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene.

What is the SMILES notation for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?

The canonical SMILES for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene is c1ccc(-c2nc(-c3ccccc3)nc(N3c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc3c4)n2)cc1.

What is the InChIKey of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?

The InChIKey is WTECJQIVHVSSHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H50N8/c1-7-24-51(25-8-1)67-70-68(52-26-9-2-10-27-52)72-69(71-67)77-65-44-22-42-63(49-65)75(55-32-15-5-16-33-55)61-40-20-38-59(47-61)73(53-28-11-3-12-29-53)57-36-19-37-58(46-57)74(54-30-13-4-14-31-54)60-39-21-41-62(48-60)76(56-34-17-6-18-35-56)64-43-23-45-66(77)50-64/h1-50H.

What are the key properties of 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene?

2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene has a molecular weight of 991.22 g/mol, XLogP of 18.87, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4,6-diphenyl-1,3,5-triazin-2-yl)-8,14,20,26-tetraphenyl-2,8,14,20,26-pentazahexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(30),3,5,7(35),9,11,13(34),15(33),16,18,21(32),22,24,27(31),28-pentadecaene is sourced from PubChem (CID 123621880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).