11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene

C144H93Al3F3InN12O12 — CID 159786403

About 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene

11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene (PubChem CID 159786403) has the molecular formula C144H93Al3F3InN12O12 and a molecular weight of 2436.16 g/mol. Its IUPAC name is 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene.

Molecular Properties

• Compound Name: 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene
• PubChem CID: 159786403
• Molecular Formula: C144H93Al3F3InN12O12
• Molecular Weight: 2436.16 g/mol
• Exact Mass: 2434.55
• IUPAC Name: 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene
• SMILES: Fc1ccc2c(c1)O[Al]1Oc3cc(F)ccc3C3c4cccc(n4)C2c2cccc(n2)C(c2cccc3n2)c2ccc(F)cc2O1.c1cc2nc(c1)C1c3cccc(n3)C3c4cccc(n4)C2c2ccccc2O[Al](Oc2ccccc21)Oc1ccccc13.c1cc2nc(c1)C1c3cccc(n3)C3c4cccc(n4)C2c2ccccc2O[Al](Oc2ccccc21)Oc1ccccc13.c1cc2nc(c1)C1c3cccc(n3)C3c4cccc(n4)C2c2ccccc2O[In](Oc2ccccc21)Oc1ccccc13
• InChI: InChI=1S/C36H24F3N3O3.3C36H27N3O3.3Al.In/c37-19-10-13-22(31(43)16-19)34-25-4-1-5-26(40-25)35(23-14-11-20(38)17-32(23)44)28-7-3-9-30(42-28)36(29-8-2-6-27(34)41-29)24-15-12-21(39)18-33(24)45;3*40-31-19-4-1-10-22(31)34-25-13-7-15-27(37-25)35(23-11-2-5-20-32(23)41)29-17-9-18-30(39-29)36(24-12-3-6-21-33(24)42)28-16-8-14-26(34)38-28;;;;/h1-18,34-36,43-45H;3*1-21,34-36,40-42H;;;;/q;;;;4*+3/p-12
• InChIKey: NHZQUSDVOFPMKD-UHFFFAOYSA-B
• XLogP: 27.91
• TPSA: 265.44 Ų
• H-Bond Acceptors: 24
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2436.16
LogP ≤ 5	27.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene?

The IUPAC name of 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene (CID 159786403) is 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene.

What is the SMILES notation for 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene?

The canonical SMILES for 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene is Fc1ccc2c(c1)O[Al]1Oc3cc(F)ccc3C3c4cccc(n4)C2c2cccc(n2)C(c2cccc3n2)c2ccc(F)cc2O1.c1cc2nc(c1)C1c3cccc(n3)C3c4cccc(n4)C2c2ccccc2O[Al](Oc2ccccc21)Oc1ccccc13.c1cc2nc(c1)C1c3cccc(n3)C3c4cccc(n4)C2c2ccccc2O[Al](Oc2ccccc21)Oc1ccccc13.c1cc2nc(c1)C1c3cccc(n3)C3c4cccc(n4)C2c2ccccc2O[In](Oc2ccccc21)Oc1ccccc13.

What is the InChIKey of 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene?

The InChIKey is NHZQUSDVOFPMKD-UHFFFAOYSA-B. The full InChI is InChI=1S/C36H24F3N3O3.3C36H27N3O3.3Al.In/c37-19-10-13-22(31(43)16-19)34-25-4-1-5-26(40-25)35(23-14-11-20(38)17-32(23)44)28-7-3-9-30(42-28)36(29-8-2-6-27(34)41-29)24-15-12-21(39)18-33(24)45;3*40-31-19-4-1-10-22(31)34-25-13-7-15-27(37-25)35(23-11-2-5-20-32(23)41)29-17-9-18-30(39-29)36(24-12-3-6-21-33(24)42)28-16-8-14-26(34)38-28;;;;/h1-18,34-36,43-45H;3*1-21,34-36,40-42H;;;;/q;;;;4*+3/p-12.

What are the key properties of 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene?

11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene has a molecular weight of 2436.16 g/mol, XLogP of 27.91, 0 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 11,19,32-trifluoro-14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8(13),9,11,17(22),18,20,24,26,28(36),29(34),30,32,37,39,41(43)-octadecaene;bis(14,16,35-trioxa-36,42,43-triaza-15-aluminanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene);14,16,35-trioxa-36,42,43-triaza-15-indanonacyclo[13.13.7.57,23.12,6.124,28.08,13.017,22.029,34.137,41]tritetraconta-2(42),3,5,8,10,12,17,19,21,24,26,28(36),29,31,33,37,39,41(43)-octadecaene is sourced from PubChem (CID 159786403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).