9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine

C70H54N4 — CID 169057006

About 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine

9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine (PubChem CID 169057006) has the molecular formula C70H54N4 and a molecular weight of 951.23 g/mol. Its IUPAC name is 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine.

Molecular Properties

• Compound Name: 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine
• PubChem CID: 169057006
• Molecular Formula: C70H54N4
• Molecular Weight: 951.23 g/mol
• Exact Mass: 950.43
• IUPAC Name: 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine
• SMILES: CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c31)c1c2ccccc2cc2c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c3n5c21
• InChI: InChI=1S/C70H54N4/c1-69(2,3)45-37-56-53-41-61-59(42-60(53)73-64(56)57(38-45)58-39-46(70(4,5)6)40-62(65(58)73)71(47-25-11-7-12-26-47)48-27-13-8-14-28-48)63-51-33-21-19-23-43(51)35-54-55-36-44-24-20-22-34-52(44)67(68(55)74(61)66(54)63)72(49-29-15-9-16-30-49)50-31-17-10-18-32-50/h7-42H,1-6H3
• InChIKey: FRCCHUFWSYHUOJ-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 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine?

The IUPAC name of 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine (CID 169057006) is 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine.

What is the SMILES notation for 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine?

The canonical SMILES for 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine is CC(C)(C)c1cc(N(c2ccccc2)c2ccccc2)c2c(c1)c1cc(C(C)(C)C)cc3c4cc5c(cc4n2c31)c1c2ccccc2cc2c3cc4ccccc4c(N(c4ccccc4)c4ccccc4)c3n5c21.

What is the InChIKey of 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine?

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

What are the key properties of 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine?

9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-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 9,14-ditert-butyl-7-N,7-N,22-N,22-N-tetraphenyl-5,20-diazaundecacyclo[18.18.1.15,12.02,19.04,17.06,11.021,30.023,28.031,39.033,38.016,40]tetraconta-1(39),2(19),3,6(11),7,9,12(40),13,15,17,21,23,25,27,29,31,33,35,37-nonadecaene-7,22-diamine is sourced from PubChem (CID 169057006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).