6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene

C74H76N2O — CID 177285843

About 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene

6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene (PubChem CID 177285843) has the molecular formula C74H76N2O and a molecular weight of 1009.43 g/mol. Its IUPAC name is 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene.

Molecular Properties

• Compound Name: 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene
• PubChem CID: 177285843
• Molecular Formula: C74H76N2O
• Molecular Weight: 1009.43 g/mol
• Exact Mass: 1008.60
• IUPAC Name: 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene
• SMILES: CC(C)(C)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc4c5c6c7cc(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc8c9c%10ccccc%10oc9n(c6ccc5n3c24)c78)cc(C(C)(C)C)c1
• InChI: InChI=1S/C74H76N2O/c1-69(2,3)47-27-42(28-48(38-47)70(4,5)6)41-23-24-59-54(33-41)55-34-45(43-29-49(71(7,8)9)39-50(30-43)72(10,11)12)36-57-64-60(75(59)66(55)57)25-26-61-65(64)58-37-46(44-31-51(73(13,14)15)40-52(32-44)74(16,17)18)35-56-63-53-21-19-20-22-62(53)77-68(63)76(61)67(56)58/h19-40H,1-18H3
• InChIKey: OSMBFLCYUTYDOL-UHFFFAOYSA-N
• XLogP: 21.52
• TPSA: 21.96 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 3
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1009.43
LogP ≤ 5	21.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene?

The IUPAC name of 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene (CID 177285843) is 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene.

What is the SMILES notation for 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene?

The canonical SMILES for 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene is CC(C)(C)c1cc(-c2ccc3c(c2)c2cc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)cc4c5c6c7cc(-c8cc(C(C)(C)C)cc(C(C)(C)C)c8)cc8c9c%10ccccc%10oc9n(c6ccc5n3c24)c78)cc(C(C)(C)C)c1.

What is the InChIKey of 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene?

The InChIKey is OSMBFLCYUTYDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C74H76N2O/c1-69(2,3)47-27-42(28-48(38-47)70(4,5)6)41-23-24-59-54(33-41)55-34-45(43-29-49(71(7,8)9)39-50(30-43)72(10,11)12)36-57-64-60(75(59)66(55)57)25-26-61-65(64)58-37-46(44-31-51(73(13,14)15)40-52(32-44)74(16,17)18)35-56-63-53-21-19-20-22-62(53)77-68(63)76(61)67(56)58/h19-40H,1-18H3.

What are the key properties of 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene?

6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene has a molecular weight of 1009.43 g/mol, XLogP of 21.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 6,11,32-tris(3,5-ditert-butylphenyl)-22-oxa-15,20-diazadecacyclo[18.13.1.14,8.02,19.03,16.09,14.021,29.023,28.030,34.015,35]pentatriaconta-1(33),2(19),3(16),4,6,8(35),9(14),10,12,17,21(29),23,25,27,30(34),31-hexadecaene is sourced from PubChem (CID 177285843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).