18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene

C62H58N4 — CID 162480455

About 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene

18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene (PubChem CID 162480455) has the molecular formula C62H58N4 and a molecular weight of 859.17 g/mol. Its IUPAC name is 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene.

Molecular Properties

• Compound Name: 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene
• PubChem CID: 162480455
• Molecular Formula: C62H58N4
• Molecular Weight: 859.17 g/mol
• Exact Mass: 858.47
• IUPAC Name: 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene
• SMILES: CC(C)(C)c1ccc(-n2c3ccccc3c3c4c5cc6c7c8c9ccccc9n(-c9ccc(C(C)(C)C)cc9)c8cc8cc(C(C)(C)C)n(c6cc5n5c(C(C)(C)C)cc(cc32)c45)c87)cc1
• InChI: InChI=1S/C62H58N4/c1-59(2,3)37-21-25-39(26-22-37)63-45-19-15-13-17-41(45)53-49(63)29-35-31-51(61(7,8)9)65-47-34-48-44(33-43(47)55(53)57(35)65)56-54-42-18-14-16-20-46(42)64(40-27-23-38(24-28-40)60(4,5)6)50(54)30-36-32-52(62(10,11)12)66(48)58(36)56/h13-34H,1-12H3
• InChIKey: FDFIPLWWHBTMRV-UHFFFAOYSA-N
• XLogP: 17.06
• TPSA: 18.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	859.17
LogP ≤ 5	17.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene?

The IUPAC name of 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene (CID 162480455) is 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene.

What is the SMILES notation for 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene?

The canonical SMILES for 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene is CC(C)(C)c1ccc(-n2c3ccccc3c3c4c5cc6c7c8c9ccccc9n(-c9ccc(C(C)(C)C)cc9)c8cc8cc(C(C)(C)C)n(c6cc5n5c(C(C)(C)C)cc(cc32)c45)c87)cc1.

What is the InChIKey of 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene?

The InChIKey is FDFIPLWWHBTMRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C62H58N4/c1-59(2,3)37-21-25-39(26-22-37)63-45-19-15-13-17-41(45)53-49(63)29-35-31-51(61(7,8)9)65-47-34-48-44(33-43(47)55(53)57(35)65)56-54-42-18-14-16-20-46(42)64(40-27-23-38(24-28-40)60(4,5)6)50(54)30-36-32-52(62(10,11)12)66(48)58(36)56/h13-34H,1-12H3.

What are the key properties of 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene?

18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene has a molecular weight of 859.17 g/mol, XLogP of 17.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18,24-ditert-butyl-13,29-bis(4-tert-butylphenyl)-13,19,23,29-tetrazaundecacyclo[21.13.1.15,16.02,22.04,20.06,14.07,12.026,37.028,36.030,35.019,38]octatriaconta-1(37),2(22),3,5(38),6(14),7,9,11,15,17,20,24,26,28(36),30,32,34-heptadecaene is sourced from PubChem (CID 162480455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).