24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone

C88H66N2O4 — CID 102097921

About 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone

24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone (PubChem CID 102097921) has the molecular formula C88H66N2O4 and a molecular weight of 1215.51 g/mol. Its IUPAC name is 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone.

Molecular Properties

• Compound Name: 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone
• PubChem CID: 102097921
• Molecular Formula: C88H66N2O4
• Molecular Weight: 1215.51 g/mol
• Exact Mass: 1214.50
• IUPAC Name: 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone
• SMILES: CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc3cc4cc(cc(c24)C1=O)c1ccc2cc(ccc2c1)c1ccc2cc(ccc2c1)c1cc2c4c(cc(cc4c1)c1ccc4cc(ccc4c1)c1ccc4cc3ccc4c1)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O
• InChI: InChI=1S/C88H66N2O4/c1-47(2)73-11-9-12-74(48(3)4)83(73)89-85(91)77-43-67-39-71-40-68(44-78(81(71)77)86(89)92)64-28-24-56-32-52(16-20-60(56)36-64)54-18-22-62-38-66(30-26-58(62)34-54)70-42-72-41-69(65-29-25-57-33-53(17-21-61(57)37-65)51-15-19-59-35-63(67)27-23-55(59)31-51)45-79-82(72)80(46-70)88(94)90(87(79)93)84-75(49(5)6)13-10-14-76(84)50(7)8/h9-50H,1-8H3
• InChIKey: HAKJLNFFTBDZJH-UHFFFAOYSA-N
• XLogP: 23.31
• TPSA: 74.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1215.51
LogP ≤ 5	23.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone?

The IUPAC name of 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone (CID 102097921) is 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone.

What is the SMILES notation for 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone?

The canonical SMILES for 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone is CC(C)c1cccc(C(C)C)c1N1C(=O)c2cc3cc4cc(cc(c24)C1=O)c1ccc2cc(ccc2c1)c1ccc2cc(ccc2c1)c1cc2c4c(cc(cc4c1)c1ccc4cc(ccc4c1)c1ccc4cc3ccc4c1)C(=O)N(c1c(C(C)C)cccc1C(C)C)C2=O.

What is the InChIKey of 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone?

The InChIKey is HAKJLNFFTBDZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C88H66N2O4/c1-47(2)73-11-9-12-74(48(3)4)83(73)89-85(91)77-43-67-39-71-40-68(44-78(81(71)77)86(89)92)64-28-24-56-32-52(16-20-60(56)36-64)54-18-22-62-38-66(30-26-58(62)34-54)70-42-72-41-69(65-29-25-57-33-53(17-21-61(57)37-65)51-15-19-59-35-63(67)27-23-55(59)31-51)45-79-82(72)80(46-70)88(94)90(87(79)93)84-75(49(5)6)13-10-14-76(84)50(7)8/h9-50H,1-8H3.

What are the key properties of 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone?

24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone has a molecular weight of 1215.51 g/mol, XLogP of 23.31, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 24,51-bis[2,6-di(propan-2-yl)phenyl]-24,51-diazapentadecacyclo[45.7.1.12,6.15,9.110,14.113,17.118,22.120,28.129,33.132,36.137,41.140,44.145,49.021,26.048,53]hexahexaconta-1(55),2(66),3,5,7,9(65),10(64),11,13,15,17(63),18,20(61),21(26),22(62),27,29(60),30,32,34,36(59),37(58),38,40,42,44(57),45(56),46,48,53-triacontaene-23,25,50,52-tetrone is sourced from PubChem (CID 102097921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).