7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

C90H102N4O13Si2 — CID 102256823

About 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone

7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (PubChem CID 102256823) has the molecular formula C90H102N4O13Si2 and a molecular weight of 1503.99 g/mol. Its IUPAC name is 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

Molecular Properties

• Compound Name: 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• PubChem CID: 102256823
• Molecular Formula: C90H102N4O13Si2
• Molecular Weight: 1503.99 g/mol
• Exact Mass: 1502.70
• IUPAC Name: 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
• SMILES: CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC1COC(CC[Si](C)(C)O[Si](C)(C)CCC2OCC(CN3C(=O)c4ccc6c7ccc8c9c(ccc(c%10ccc(c4c6%10)C3=O)c97)C(=O)N(C(CCCCCC)CCCCCC)C8=O)O2)O1)C5=O
• InChI: InChI=1S/C90H102N4O13Si2/c1-9-13-17-21-25-53(26-22-18-14-10-2)93-87(99)69-41-33-61-57-29-37-65-79-66(38-30-58(75(57)79)62-34-42-70(88(93)100)81(69)77(61)62)84(96)91(83(65)95)49-55-51-103-73(105-55)45-47-108(5,6)107-109(7,8)48-46-74-104-52-56(106-74)50-92-85(97)67-39-31-59-63-35-43-71-82-72(44-36-64(78(63)82)60-32-40-68(86(92)98)80(67)76(59)60)90(102)94(89(71)101)54(27-23-19-15-11-3)28-24-20-16-12-4/h29-44,53-56,73-74H,9-28,45-52H2,1-8H3
• InChIKey: AVHPHUIKXRICAU-UHFFFAOYSA-N
• XLogP: 20.18
• TPSA: 195.67 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 34
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1503.99
LogP ≤ 5	20.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?

The IUPAC name of 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone (CID 102256823) is 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone.

What is the SMILES notation for 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?

The canonical SMILES for 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is CCCCCCC(CCCCCC)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(CC1COC(CC[Si](C)(C)O[Si](C)(C)CCC2OCC(CN3C(=O)c4ccc6c7ccc8c9c(ccc(c%10ccc(c4c6%10)C3=O)c97)C(=O)N(C(CCCCCC)CCCCCC)C8=O)O2)O1)C5=O.

What is the InChIKey of 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?

The InChIKey is AVHPHUIKXRICAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C90H102N4O13Si2/c1-9-13-17-21-25-53(26-22-18-14-10-2)93-87(99)69-41-33-61-57-29-37-65-79-66(38-30-58(75(57)79)62-34-42-70(88(93)100)81(69)77(61)62)84(96)91(83(65)95)49-55-51-103-73(105-55)45-47-108(5,6)107-109(7,8)48-46-74-104-52-56(106-74)50-92-85(97)67-39-31-59-63-35-43-71-82-72(44-36-64(78(63)82)60-32-40-68(86(92)98)80(67)76(59)60)90(102)94(89(71)101)54(27-23-19-15-11-3)28-24-20-16-12-4/h29-44,53-56,73-74H,9-28,45-52H2,1-8H3.

What are the key properties of 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone?

7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone has a molecular weight of 1503.99 g/mol, XLogP of 20.18, 34 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[2-[2-[[dimethyl-[2-[4-[(6,8,17,19-tetraoxo-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaen-7-yl)methyl]-1,3-dioxolan-2-yl]ethyl]silyl]oxy-dimethylsilyl]ethyl]-1,3-dioxolan-4-yl]methyl]-18-tridecan-7-yl-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone is sourced from PubChem (CID 102256823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).