2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene

C64H34N16 — CID 153304898

About 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene

2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (PubChem CID 153304898) has the molecular formula C64H34N16 and a molecular weight of 1027.09 g/mol. Its IUPAC name is 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.

Molecular Properties

• Compound Name: 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene
• PubChem CID: 153304898
• Molecular Formula: C64H34N16
• Molecular Weight: 1027.09 g/mol
• Exact Mass: 1026.32
• IUPAC Name: 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene
• SMILES: c1ccc2cc3c(cc2c1)-c1nc-3c(-c2ncncn2)c2[nH]c(c(-c3ncncn3)c3nc(c(-c4ncncn4)c4[nH]c(c1-c1ncncn1)c1cc5ccccc5cc41)-c1cc4ccccc4cc1-3)c1cc3ccccc3cc21
• InChI: InChI=1S/C64H34N16/c1-2-10-34-18-42-41(17-33(34)9-1)53-49(61-69-25-65-26-70-61)55-43-19-35-11-3-4-12-36(35)20-44(43)57(78-55)51(63-73-29-67-30-74-63)59-47-23-39-15-7-8-16-40(39)24-48(47)60(80-59)52(64-75-31-68-32-76-64)58-46-22-38-14-6-5-13-37(38)21-45(46)56(79-58)50(54(42)77-53)62-71-27-66-28-72-62/h1-32,77,80H/b53-49-,54-50-,55-49-,56-50+,57-51-,58-52+,59-51+,60-52+
• InChIKey: LNJPRYOQHHJJNF-UFYPQRQWSA-N
• XLogP: 13.31
• TPSA: 212.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 4
• Heavy Atoms: 80
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1027.09
LogP ≤ 5	13.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The IUPAC name of 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene (CID 153304898) is 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene.

What is the SMILES notation for 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The canonical SMILES for 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is c1ccc2cc3c(cc2c1)-c1nc-3c(-c2ncncn2)c2[nH]c(c(-c3ncncn3)c3nc(c(-c4ncncn4)c4[nH]c(c1-c1ncncn1)c1cc5ccccc5cc41)-c1cc4ccccc4cc1-3)c1cc3ccccc3cc21.

What is the InChIKey of 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

The InChIKey is LNJPRYOQHHJJNF-UFYPQRQWSA-N. The full InChI is InChI=1S/C64H34N16/c1-2-10-34-18-42-41(17-33(34)9-1)53-49(61-69-25-65-26-70-61)55-43-19-35-11-3-4-12-36(35)20-44(43)57(78-55)51(63-73-29-67-30-74-63)59-47-23-39-15-7-8-16-40(39)24-48(47)60(80-59)52(64-75-31-68-32-76-64)58-46-22-38-14-6-5-13-37(38)21-45(46)56(79-58)50(54(42)77-53)62-71-27-66-28-72-62/h1-32,77,80H/b53-49-,54-50-,55-49-,56-50+,57-51-,58-52+,59-51+,60-52+.

What are the key properties of 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene?

2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene has a molecular weight of 1027.09 g/mol, XLogP of 13.31, 4 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2,15,28,41-tetrakis(1,3,5-triazin-2-yl)-53,54,55,56-tetrazatridecacyclo[40.10.1.13,14.116,27.129,40.04,13.06,11.017,26.019,24.030,39.032,37.043,52.045,50]hexapentaconta-1(53),2,4,6,8,10,12,14,16(55),17,19,21,23,25,27,29,31,33,35,37,39,41,43,45,47,49,51-heptacosaene is sourced from PubChem (CID 153304898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).