18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine

C58H45N3 — CID 169056733

About 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine

18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine (PubChem CID 169056733) has the molecular formula C58H45N3 and a molecular weight of 784.02 g/mol. Its IUPAC name is 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine.

Molecular Properties

• Compound Name: 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine
• PubChem CID: 169056733
• Molecular Formula: C58H45N3
• Molecular Weight: 784.02 g/mol
• Exact Mass: 783.36
• IUPAC Name: 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine
• SMILES: CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc3ccccc3c3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3ccc4ccccc4c3n5c12
• InChI: InChI=1S/C58H45N3/c1-57(2,3)36-28-45-42-26-25-34-17-13-16-24-41(34)53(42)60-49-33-48-50(32-43(49)46(29-36)54(45)60)61-55-47(44-27-35-18-14-15-23-40(35)52(48)56(44)61)30-37(58(4,5)6)31-51(55)59(38-19-9-7-10-20-38)39-21-11-8-12-22-39/h7-33H,1-6H3
• InChIKey: AQQGRSVDXZWNIR-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 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine?

The IUPAC name of 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine (CID 169056733) is 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine.

What is the SMILES notation for 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine?

The canonical SMILES for 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine is CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc3ccccc3c3c4cc5c(cc4n2c13)c1cc(C(C)(C)C)cc2c3ccc4ccccc4c3n5c12.

What is the InChIKey of 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine?

The InChIKey is AQQGRSVDXZWNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H45N3/c1-57(2,3)36-28-45-42-26-25-34-17-13-16-24-41(34)53(42)60-49-33-48-50(32-43(49)46(29-36)54(45)60)61-55-47(44-27-35-18-14-15-23-40(35)52(48)56(44)61)30-37(58(4,5)6)31-51(55)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 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine?

18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-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 18,28-ditert-butyl-N,N-diphenyl-5,24-diazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.033,38.020,40]tetraconta-1(39),2(23),3,6(15),7,9,11,13,16(40),17,19,21,25(30),26,28,31,33,35,37-nonadecaen-26-amine is sourced from PubChem (CID 169056733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).