17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine

C62H38N4 — CID 169056236

About 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine

17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine (PubChem CID 169056236) has the molecular formula C62H38N4 and a molecular weight of 839.01 g/mol. Its IUPAC name is 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine.

Molecular Properties

• Compound Name: 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine
• PubChem CID: 169056236
• Molecular Formula: C62H38N4
• Molecular Weight: 839.01 g/mol
• Exact Mass: 838.31
• IUPAC Name: 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine
• SMILES: c1ccc(N(c2ccccc2)c2cccc3c4c5ccccc5cc5c6c7c8c9ccccc9cc9c%10cccc(N(c%11ccccc%11)c%11ccccc%11)c%10n(c7ccc6n(c23)c54)c98)cc1
• InChI: InChI=1S/C62H38N4/c1-5-21-41(22-6-1)63(42-23-7-2-8-24-42)53-33-17-31-47-49-37-39-19-14-16-30-46(39)57-58-52(66(59(47)53)61(49)57)36-35-51-56(58)50-38-40-20-13-15-29-45(40)55-48-32-18-34-54(60(48)65(51)62(50)55)64(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-38H
• InChIKey: ZMDUPHXMFUTEQS-UHFFFAOYSA-N
• XLogP: 17.23
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	839.01
LogP ≤ 5	17.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine?

The IUPAC name of 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine (CID 169056236) is 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine.

What is the SMILES notation for 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine?

The canonical SMILES for 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine is c1ccc(N(c2ccccc2)c2cccc3c4c5ccccc5cc5c6c7c8c9ccccc9cc9c%10cccc(N(c%11ccccc%11)c%11ccccc%11)c%10n(c7ccc6n(c23)c54)c98)cc1.

What is the InChIKey of 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine?

The InChIKey is ZMDUPHXMFUTEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H38N4/c1-5-21-41(22-6-1)63(42-23-7-2-8-24-42)53-33-17-31-47-49-37-39-19-14-16-30-46(39)57-58-52(66(59(47)53)61(49)57)36-35-51-56(58)50-38-40-20-13-15-29-45(40)55-48-32-18-34-54(60(48)65(51)62(50)55)64(43-25-9-3-10-26-43)44-27-11-4-12-28-44/h1-38H.

What are the key properties of 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine?

17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine has a molecular weight of 839.01 g/mol, XLogP of 17.23, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 17-N,17-N,26-N,26-N-tetraphenyl-19,24-diazaundecacyclo[22.14.1.14,12.02,23.03,20.05,10.013,18.025,30.031,39.032,37.019,40]tetraconta-1(38),2(23),3(20),4(40),5,7,9,11,13(18),14,16,21,25(30),26,28,31(39),32,34,36-nonadecaene-17,26-diamine is sourced from PubChem (CID 169056236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).