18,24-ditert-butyl-13,29-bis(4-methylphenyl)-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

C56H46N4 — CID 162480463

About 18,24-ditert-butyl-13,29-bis(4-methylphenyl)-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-methylphenyl)-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 162480463) has the molecular formula C56H46N4 and a molecular weight of 775.01 g/mol. Its IUPAC name is 18,24-ditert-butyl-13,29-bis(4-methylphenyl)-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-methylphenyl)-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: 162480463
• Molecular Formula: C56H46N4
• Molecular Weight: 775.01 g/mol
• Exact Mass: 774.37
• IUPAC Name: 18,24-ditert-butyl-13,29-bis(4-methylphenyl)-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: Cc1ccc(-n2c3ccccc3c3c4c5cc6c7c8c9ccccc9n(-c9ccc(C)cc9)c8cc8cc(C(C)(C)C)n(c6cc5n5c(C(C)(C)C)cc(cc32)c45)c87)cc1
• InChI: InChI=1S/C56H46N4/c1-31-17-21-35(22-18-31)57-41-15-11-9-13-37(41)49-45(57)25-33-27-47(55(3,4)5)59-43-30-44-40(29-39(43)51(49)53(33)59)52-50-38-14-10-12-16-42(38)58(36-23-19-32(2)20-24-36)46(50)26-34-28-48(56(6,7)8)60(44)54(34)52/h9-30H,1-8H3
• InChIKey: FZGMIXVCKIIBNN-UHFFFAOYSA-N
• XLogP: 15.09
• TPSA: 18.68 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	775.01
LogP ≤ 5	15.09
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-methylphenyl)-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-methylphenyl)-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 162480463) is 18,24-ditert-butyl-13,29-bis(4-methylphenyl)-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-methylphenyl)-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-methylphenyl)-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 Cc1ccc(-n2c3ccccc3c3c4c5cc6c7c8c9ccccc9n(-c9ccc(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-methylphenyl)-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 FZGMIXVCKIIBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N4/c1-31-17-21-35(22-18-31)57-41-15-11-9-13-37(41)49-45(57)25-33-27-47(55(3,4)5)59-43-30-44-40(29-39(43)51(49)53(33)59)52-50-38-14-10-12-16-42(38)58(36-23-19-32(2)20-24-36)46(50)26-34-28-48(56(6,7)8)60(44)54(34)52/h9-30H,1-8H3.

What are the key properties of 18,24-ditert-butyl-13,29-bis(4-methylphenyl)-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-methylphenyl)-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 775.01 g/mol, XLogP of 15.09, 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-methylphenyl)-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 162480463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).