N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine

C49H28N4 — CID 169057359

About N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine

N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine (PubChem CID 169057359) has the molecular formula C49H28N4 and a molecular weight of 672.79 g/mol. Its IUPAC name is N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine.

Molecular Properties

• Compound Name: N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine
• PubChem CID: 169057359
• Molecular Formula: C49H28N4
• Molecular Weight: 672.79 g/mol
• Exact Mass: 672.23
• IUPAC Name: N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine
• SMILES: c1ccc(N(c2ccccc2)c2cccc3c4c5ccccc5cc5c6cc7c(nc6n(c23)c54)c2cccc3c4ccc5ccccc5c4n7c32)cc1
• InChI: InChI=1S/C49H28N4/c1-3-15-31(16-4-1)51(32-17-5-2-6-18-32)41-24-12-22-37-43-33-19-9-8-14-30(33)27-39-40-28-42-44(50-49(40)53(47(37)41)48(39)43)38-23-11-21-35-36-26-25-29-13-7-10-20-34(29)45(36)52(42)46(35)38/h1-28H
• InChIKey: XMGVWURCXALPCY-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-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine?

The IUPAC name of N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine (CID 169057359) is N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine.

What is the SMILES notation for N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine?

The canonical SMILES for N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine is c1ccc(N(c2ccccc2)c2cccc3c4c5ccccc5cc5c6cc7c(nc6n(c23)c54)c2cccc3c4ccc5ccccc5c4n7c32)cc1.

What is the InChIKey of N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine?

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

What are the key properties of N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine?

N,N-diphenyl-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-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-5,22,24-triazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.07,12.025,30.031,39.032,37.020,40]tetraconta-1(38),2,4(21),6(15),7,9,11,13,16(40),17,19,22,25(30),26,28,31(39),32,34,36-nonadecaen-26-amine is sourced from PubChem (CID 169057359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).