N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine

C49H28N4 — CID 169057203

About N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine

N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine (PubChem CID 169057203) has the molecular formula C49H28N4 and a molecular weight of 672.79 g/mol. Its IUPAC name is N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine
• PubChem CID: 169057203
• Molecular Formula: C49H28N4
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.23
• IUPAC Name: N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine
• SMILES: c1ccc(N(c2ccccc2)c2cc3ccccc3c3c4cccc5c6c7c8c9ccccc9cc9c%10ccccc%10n(c7cnc6n(c23)c54)c98)cc1
• InChI: InChI=1S/C49H28N4/c1-3-16-31(17-4-1)51(32-18-5-2-6-19-32)40-27-30-15-8-9-20-33(30)42-36-23-13-24-37-44-45-41(28-50-49(44)53(46(36)37)48(40)42)52-39-25-12-11-22-35(39)38-26-29-14-7-10-21-34(29)43(45)47(38)52/h1-28H
• InChIKey: MJAODFNDJYHAPL-UHFFFAOYSA-N
• XLogP: 13.16
• TPSA: 24.95 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	672.79
LogP ≤ 5	13.16
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine?

The IUPAC name of N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine (CID 169057203) is N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine.

What is the SMILES notation for N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine?

The canonical SMILES for N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine is c1ccc(N(c2ccccc2)c2cc3ccccc3c3c4cccc5c6c7c8c9ccccc9cc9c%10ccccc%10n(c7cnc6n(c23)c54)c98)cc1.

What is the InChIKey of N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine?

The InChIKey is MJAODFNDJYHAPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H28N4/c1-3-16-31(17-4-1)51(32-18-5-2-6-19-32)40-27-30-15-8-9-20-33(30)42-36-23-13-24-37-44-45-41(28-50-49(44)53(46(36)37)48(40)42)52-39-25-12-11-22-35(39)38-26-29-14-7-10-21-34(29)43(45)47(38)52/h1-28H.

What are the key properties of N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine?

N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine has a molecular weight of 672.79 g/mol, XLogP of 13.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-diphenyl-19,22,24-triazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,34.028,33.035,39.019,40]tetraconta-1(38),2,4(40),5,7,9,11,13,15,17,20,22,25(34),26,28,30,32,35(39),36-nonadecaen-26-amine is sourced from PubChem (CID 169057203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).