6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

C₅₆H₃₄N₈ — CID 25078168

About 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene (PubChem CID 25078168) has the molecular formula C₅₆H₃₄N₈ and a molecular weight of 818.94 g/mol. Its IUPAC name is 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene.

Molecular Properties

• Compound Name: 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
• PubChem CID: 25078168
• Molecular Formula: C₅₆H₃₄N₈
• Molecular Weight: 818.94 g/mol
• Exact Mass: 818.29
• IUPAC Name: 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
• SMILES: c1ccc(-c2ccc3c(c2)-c2nc4nc(nc5[nH]c(nc6[nH]c(nc-3n2)c2cc(-c3ccccc3)ccc62)c2cc(-c3ccccc3)ccc52)-c2cc(-c3ccccc3)ccc2-4)cc1
• InChI: InChI=1S/C56H34N8/c1-5-13-33(14-6-1)37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53/h1-32H,(H2,57,58,59,60,61,62,63,64)
• InChIKey: SXNLZNGQJWKPAM-UHFFFAOYSA-N
• XLogP: 13.54
• TPSA: 108.92 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 64
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	818.94
LogP ≤ 5	13.54
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?

The IUPAC name of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene (CID 25078168) is 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene.

What is the SMILES notation for 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?

The canonical SMILES for 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene is c1ccc(-c2ccc3c(c2)-c2nc4nc(nc5[nH]c(nc6[nH]c(nc-3n2)c2cc(-c3ccccc3)ccc62)c2cc(-c3ccccc3)ccc52)-c2cc(-c3ccccc3)ccc2-4)cc1.

What is the InChIKey of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?

The InChIKey is SXNLZNGQJWKPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H34N8/c1-5-13-33(14-6-1)37-21-25-41-45(29-37)53-57-49(41)62-54-47-31-39(35-17-9-3-10-18-35)23-27-43(47)51(59-54)64-56-48-32-40(36-19-11-4-12-20-36)24-28-44(48)52(60-56)63-55-46-30-38(34-15-7-2-8-16-34)22-26-42(46)50(58-55)61-53/h1-32H,(H2,57,58,59,60,61,62,63,64).

What are the key properties of 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene?

6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene has a molecular weight of 818.94 g/mol, XLogP of 13.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6,15,24,33-tetraphenyl-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene is sourced from PubChem (CID 25078168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 25078168 — identifiers, structure, computed properties (public domain)

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