2-(2,6-diphenyl-4-pyridinyl)-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

C71H52N6 — CID 123806675

About 2-(2,6-diphenyl-4-pyridinyl)-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-(2,6-diphenyl-4-pyridinyl)-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 123806675) has the molecular formula C71H52N6 and a molecular weight of 989.24 g/mol. Its IUPAC name is 2-(2,6-diphenyl-4-pyridinyl)-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-(2,6-diphenyl-4-pyridinyl)-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: 123806675
• Molecular Formula: C71H52N6
• Molecular Weight: 989.24 g/mol
• Exact Mass: 988.43
• IUPAC Name: 2-(2,6-diphenyl-4-pyridinyl)-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(-c2cc(N3c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc3c4)cc(-c3ccccc3)n2)cc1
• InChI: InChI=1S/C71H52N6/c1-7-24-53(25-8-1)70-51-69(52-71(72-70)54-26-9-2-10-27-54)77-67-44-22-42-65(49-67)75(57-32-15-5-16-33-57)63-40-20-38-61(47-63)73(55-28-11-3-12-29-55)59-36-19-37-60(46-59)74(56-30-13-4-14-31-56)62-39-21-41-64(48-62)76(58-34-17-6-18-35-58)66-43-23-45-68(77)50-66/h1-52H
• InChIKey: RWFUKLCALXROMG-UHFFFAOYSA-N
• XLogP: 20.08
• TPSA: 29.09 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	989.24
LogP ≤ 5	20.08
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-diphenyl-4-pyridinyl)-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-(2,6-diphenyl-4-pyridinyl)-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 123806675) is 2-(2,6-diphenyl-4-pyridinyl)-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-(2,6-diphenyl-4-pyridinyl)-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-(2,6-diphenyl-4-pyridinyl)-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(-c2cc(N3c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc(c4)N(c4ccccc4)c4cccc3c4)cc(-c3ccccc3)n2)cc1.

What is the InChIKey of 2-(2,6-diphenyl-4-pyridinyl)-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 RWFUKLCALXROMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C71H52N6/c1-7-24-53(25-8-1)70-51-69(52-71(72-70)54-26-9-2-10-27-54)77-67-44-22-42-65(49-67)75(57-32-15-5-16-33-57)63-40-20-38-61(47-63)73(55-28-11-3-12-29-55)59-36-19-37-60(46-59)74(56-30-13-4-14-31-56)62-39-21-41-64(48-62)76(58-34-17-6-18-35-58)66-43-23-45-68(77)50-66/h1-52H.

What are the key properties of 2-(2,6-diphenyl-4-pyridinyl)-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-(2,6-diphenyl-4-pyridinyl)-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 989.24 g/mol, XLogP of 20.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,6-diphenyl-4-pyridinyl)-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 123806675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).