18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene

C70H78N4 — CID 176770673

About 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene

18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene (PubChem CID 176770673) has the molecular formula C70H78N4 and a molecular weight of 975.42 g/mol. Its IUPAC name is 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene.

Molecular Properties

• Compound Name: 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene
• PubChem CID: 176770673
• Molecular Formula: C70H78N4
• Molecular Weight: 975.42 g/mol
• Exact Mass: 974.62
• IUPAC Name: 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene
• SMILES: Cc1cc(C)c(-c2c3c4cc(C(C)(C)C)cc5c6c7c(ncc6n(c3c(-c3c(C)cc(C)cc3C)c3c6cc(C(C)(C)C)cc8c9c%10c(ncc9n(c23)c86)C(C)(C)CCC%10(C)C)c54)C(C)(C)CCC7(C)C)c(C)c1
• InChI: InChI=1S/C70H78N4/c1-35-25-37(3)49(38(4)26-35)55-53-45-31-41(65(7,8)9)29-43-52-48(34-72-64-58(52)68(15,16)22-24-70(64,19)20)74(59(43)45)62(53)56(50-39(5)27-36(2)28-40(50)6)54-46-32-42(66(10,11)12)30-44-51-47(73(60(44)46)61(54)55)33-71-63-57(51)67(13,14)21-23-69(63,17)18/h25-34H,21-24H2,1-20H3
• InChIKey: SIGDAHWGZLCKMG-UHFFFAOYSA-N
• XLogP: 19.25
• TPSA: 34.60 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	975.42
LogP ≤ 5	19.25
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene?

The IUPAC name of 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene (CID 176770673) is 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene.

What is the SMILES notation for 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene?

The canonical SMILES for 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene is Cc1cc(C)c(-c2c3c4cc(C(C)(C)C)cc5c6c7c(ncc6n(c3c(-c3c(C)cc(C)cc3C)c3c6cc(C(C)(C)C)cc8c9c%10c(ncc9n(c23)c86)C(C)(C)CCC%10(C)C)c54)C(C)(C)CCC7(C)C)c(C)c1.

What is the InChIKey of 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene?

The InChIKey is SIGDAHWGZLCKMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C70H78N4/c1-35-25-37(3)49(38(4)26-35)55-53-45-31-41(65(7,8)9)29-43-52-48(34-72-64-58(52)68(15,16)22-24-70(64,19)20)74(59(43)45)62(53)56(50-39(5)27-36(2)28-40(50)6)54-46-32-42(66(10,11)12)30-44-51-47(73(60(44)46)61(54)55)33-71-63-57(51)67(13,14)21-23-69(63,17)18/h25-34H,21-24H2,1-20H3.

What are the key properties of 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene?

18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene has a molecular weight of 975.42 g/mol, XLogP of 19.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 18,37-ditert-butyl-10,10,13,13,29,29,32,32-octamethyl-3,22-bis(2,4,6-trimethylphenyl)-5,8,24,27-tetrazaundecacyclo[22.14.1.15,16.02,23.04,21.06,15.09,14.025,34.028,33.035,39.020,40]tetraconta-1(38),2,4(21),6,8,14,16(40),17,19,22,25,27,33,35(39),36-pentadecaene is sourced from PubChem (CID 176770673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).