15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine

C57H44N4 — CID 169055935

About 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine

15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine (PubChem CID 169055935) has the molecular formula C57H44N4 and a molecular weight of 785.01 g/mol. Its IUPAC name is 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine.

Molecular Properties

• Compound Name: 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine
• PubChem CID: 169055935
• Molecular Formula: C57H44N4
• Molecular Weight: 785.01 g/mol
• Exact Mass: 784.36
• IUPAC Name: 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine
• SMILES: CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1c3ccccc3cc3c4c5c6cc(C(C)(C)C)cc7c8ccc9ccccc9c8n(c5ncc4n2c31)c76
• InChI: InChI=1S/C57H44N4/c1-56(2,3)35-28-42-41-26-25-33-17-13-16-24-40(33)51(41)61-52(42)45(29-35)50-49-43-27-34-18-14-15-23-39(34)48-44-30-36(57(4,5)6)31-46(53(44)60(54(43)48)47(49)32-58-55(50)61)59(37-19-9-7-10-20-37)38-21-11-8-12-22-38/h7-32H,1-6H3
• InChIKey: MFKRFICYEIEADL-UHFFFAOYSA-N
• XLogP: 15.75
• TPSA: 24.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 61
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	785.01
LogP ≤ 5	15.75
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine?

The IUPAC name of 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine (CID 169055935) is 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine.

What is the SMILES notation for 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine?

The canonical SMILES for 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine is CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1c3ccccc3cc3c4c5c6cc(C(C)(C)C)cc7c8ccc9ccccc9c8n(c5ncc4n2c31)c76.

What is the InChIKey of 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine?

The InChIKey is MFKRFICYEIEADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H44N4/c1-56(2,3)35-28-42-41-26-25-33-17-13-16-24-40(33)51(41)61-52(42)45(29-35)50-49-43-27-34-18-14-15-23-39(34)48-44-30-36(57(4,5)6)31-46(53(44)60(54(43)48)47(49)32-58-55(50)61)59(37-19-9-7-10-20-37)38-21-11-8-12-22-38/h7-32H,1-6H3.

What are the key properties of 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine?

15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine has a molecular weight of 785.01 g/mol, XLogP of 15.75, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 15,37-ditert-butyl-N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.06,11.013,18.025,34.026,31.035,39.019,40]tetraconta-1(38),2,4,6,8,10,12(40),13(18),14,16,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-17-amine is sourced from PubChem (CID 169055935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).