6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine

C70H54N4 — CID 169056289

About 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine

6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine (PubChem CID 169056289) has the molecular formula C70H54N4 and a molecular weight of 951.23 g/mol. Its IUPAC name is 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine.

Molecular Properties

• Compound Name: 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine
• PubChem CID: 169056289
• Molecular Formula: C70H54N4
• Molecular Weight: 951.23 g/mol
• Exact Mass: 950.43
• IUPAC Name: 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine
• SMILES: CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc7ccccc7c7c8c9ccccc9cc(N(c9ccccc9)c9ccccc9)c8n(c5ccc4n2c13)c67
• InChI: InChI=1S/C70H54N4/c1-69(2,3)45-39-53-54-40-46(70(4,5)6)42-60(72(49-29-15-9-16-30-49)50-31-17-10-18-32-50)66(54)73-57-35-36-58-61(62(57)56(41-45)65(53)73)55-37-43-23-19-21-33-51(43)63-64-52-34-22-20-24-44(52)38-59(68(64)74(58)67(55)63)71(47-25-11-7-12-26-47)48-27-13-8-14-28-48/h7-42H,1-6H3
• InChIKey: VVTMYZMCDQIDRJ-UHFFFAOYSA-N
• XLogP: 19.83
• TPSA: 15.30 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	951.23
LogP ≤ 5	19.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine?

The IUPAC name of 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine (CID 169056289) is 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine.

What is the SMILES notation for 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine?

The canonical SMILES for 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine is CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4c5c6cc7ccccc7c7c8c9ccccc9cc(N(c9ccccc9)c9ccccc9)c8n(c5ccc4n2c13)c67.

What is the InChIKey of 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine?

The InChIKey is VVTMYZMCDQIDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H54N4/c1-69(2,3)45-39-53-54-40-46(70(4,5)6)42-60(72(49-29-15-9-16-30-49)50-31-17-10-18-32-50)66(54)73-57-35-36-58-61(62(57)56(41-45)65(53)73)55-37-43-23-19-21-33-51(43)63-64-52-34-22-20-24-44(52)38-59(68(64)74(58)67(55)63)71(47-25-11-7-12-26-47)48-27-13-8-14-28-48/h7-42H,1-6H3.

What are the key properties of 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine?

6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine has a molecular weight of 951.23 g/mol, XLogP of 19.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11-ditert-butyl-13-N,13-N,22-N,22-N-tetraphenyl-15,20-diazaundecacyclo[18.18.1.14,8.02,19.03,16.09,14.021,30.024,29.031,39.032,37.015,40]tetraconta-1(38),2(19),3(16),4,6,8(40),9(14),10,12,17,21(30),22,24,26,28,31(39),32,34,36-nonadecaene-13,22-diamine is sourced from PubChem (CID 169056289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).