15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine

C58H45N3 — CID 169056218

About 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine

15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine (PubChem CID 169056218) has the molecular formula C58H45N3 and a molecular weight of 784.02 g/mol. Its IUPAC name is 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine.

Molecular Properties

• Compound Name: 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine
• PubChem CID: 169056218
• Molecular Formula: C58H45N3
• Molecular Weight: 784.02 g/mol
• Exact Mass: 783.36
• IUPAC Name: 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine
• SMILES: CC(C)(C)c1ccc2c(c1)c1cc3ccccc3c3c4c5c6c7ccccc7cc7c8cc(C(C)(C)C)cc(N(c9ccccc9)c9ccccc9)c8n(c5ccc4n2c13)c76
• InChI: InChI=1S/C58H45N3/c1-57(2,3)36-25-26-46-42(31-36)43-29-34-17-13-15-23-40(34)50-52-47(60(46)55(43)50)27-28-48-53(52)51-41-24-16-14-18-35(41)30-44-45-32-37(58(4,5)6)33-49(54(45)61(48)56(44)51)59(38-19-9-7-10-20-38)39-21-11-8-12-22-39/h7-33H,1-6H3
• InChIKey: LCNSNXZBJWEFRS-UHFFFAOYSA-N
• XLogP: 16.36
• TPSA: 12.06 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	784.02
LogP ≤ 5	16.36
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine?

The IUPAC name of 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine (CID 169056218) is 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine.

What is the SMILES notation for 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine?

The canonical SMILES for 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine is CC(C)(C)c1ccc2c(c1)c1cc3ccccc3c3c4c5c6c7ccccc7cc7c8cc(C(C)(C)C)cc(N(c9ccccc9)c9ccccc9)c8n(c5ccc4n2c13)c76.

What is the InChIKey of 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine?

The InChIKey is LCNSNXZBJWEFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N3/c1-57(2,3)36-25-26-46-42(31-36)43-29-34-17-13-15-23-40(34)50-52-47(60(46)55(43)50)27-28-48-53(52)51-41-24-16-14-18-35(41)30-44-45-32-37(58(4,5)6)33-49(54(45)61(48)56(44)51)59(38-19-9-7-10-20-38)39-21-11-8-12-22-39/h7-33H,1-6H3.

What are the key properties of 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine?

15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine has a molecular weight of 784.02 g/mol, XLogP of 16.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 15,28-ditert-butyl-N,N-diphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.033,38.019,40]tetraconta-1(39),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31,33,35,37-nonadecaen-17-amine is sourced from PubChem (CID 169056218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).