18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine

C69H53N5 — CID 169056224

About 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine

18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine (PubChem CID 169056224) has the molecular formula C69H53N5 and a molecular weight of 952.22 g/mol. Its IUPAC name is 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine.

Molecular Properties

• Compound Name: 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine
• PubChem CID: 169056224
• Molecular Formula: C69H53N5
• Molecular Weight: 952.22 g/mol
• Exact Mass: 951.43
• IUPAC Name: 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine
• SMILES: CC(C)(C)c1cc2c3nc4c(cc3n3c5c(N(c6ccccc6)c6ccccc6)cc6ccccc6c5c(c1)c23)c1cc(C(C)(C)C)cc2c3c5ccccc5cc(N(c5ccccc5)c5ccccc5)c3n4c12
• InChI: InChI=1S/C69H53N5/c1-68(2,3)44-37-52-53-41-57-62(70-67(53)74-63(52)54(38-44)61-51-34-22-20-24-43(51)36-59(66(61)74)72(48-29-15-9-16-30-48)49-31-17-10-18-32-49)56-40-45(69(4,5)6)39-55-60-50-33-21-19-23-42(50)35-58(65(60)73(57)64(55)56)71(46-25-11-7-12-26-46)47-27-13-8-14-28-47/h7-41H,1-6H3
• InChIKey: PGMBTMGZCPRVAI-UHFFFAOYSA-N
• XLogP: 19.22
• TPSA: 28.19 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	952.22
LogP ≤ 5	19.22
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine?

The IUPAC name of 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine (CID 169056224) is 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine.

What is the SMILES notation for 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine?

The canonical SMILES for 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine is CC(C)(C)c1cc2c3nc4c(cc3n3c5c(N(c6ccccc6)c6ccccc6)cc6ccccc6c5c(c1)c23)c1cc(C(C)(C)C)cc2c3c5ccccc5cc(N(c5ccccc5)c5ccccc5)c3n4c12.

What is the InChIKey of 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine?

The InChIKey is PGMBTMGZCPRVAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C69H53N5/c1-68(2,3)44-37-52-53-41-57-62(70-67(53)74-63(52)54(38-44)61-51-34-22-20-24-43(51)36-59(66(61)74)72(48-29-15-9-16-30-48)49-31-17-10-18-32-49)56-40-45(69(4,5)6)39-55-60-50-33-21-19-23-42(50)35-58(65(60)73(57)64(55)56)71(46-25-11-7-12-26-46)47-27-13-8-14-28-47/h7-41H,1-6H3.

What are the key properties of 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine?

18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine has a molecular weight of 952.22 g/mol, XLogP of 19.22, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 18,37-ditert-butyl-7-N,7-N,26-N,26-N-tetraphenyl-3,5,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2(23),3,6(15),7,9,11,13,16,18,20(40),21,25(34),26,28,30,32,35(39),36-nonadecaene-7,26-diamine is sourced from PubChem (CID 169056224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).