7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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

C152H260N4O26Si24 — CID 159448002

IUPAC7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCC(CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)Oc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OC(CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc2)C6=O)cc1.C[Si](C)(C)O[Si](C)(CCCCC(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C5=O)O[Si](C)(C)C
InChIInChI=1S/C82H134N2O14Si12.C70H126N2O12Si12/c1-99(2,3)91-107(21,22)95-103(13,14)57-33-29-37-63(38-30-34-58-104(15,16)96-108(23,24)92-100(4,5)6)89-65-45-41-61(42-46-65)83-79(85)71-53-49-67-69-51-55-73-78-74(56-52-70(76(69)78)68-50-54-72(80(83)86)77(71)75(67)68)82(88)84(81(73)87)62-43-47-66(48-44-62)90-64(39-31-35-59-105(17,18)97-109(25,26)93-101(7,8)9)40-32-36-60-106(19,20)98-110(27,28)94-102(10,11)12;1-85(2,3)77-93(25,78-86(4,5)6)49-33-29-37-53(38-30-34-50-94(26,79-87(7,8)9)80-88(10,11)12)71-67(73)59-45-41-55-57-43-47-61-66-62(48-44-58(64(57)66)56-42-46-60(68(71)74)65(59)63(55)56)70(76)72(69(61)75)54(39-31-35-51-95(27,81-89(13,14)15)82-90(16,17)18)40-32-36-52-96(28,83-91(19,20)21)84-92(22,23)24/h41-56,63-64H,29-40,57-60H2,1-28H3;41-48,53-54H,29-40,49-52H2,1-28H3
InChIKeyLSZSYQHDLASSRH-UHFFFAOYSA-N
MW3233.82 g/mol
LogP46.06
Rot. Bonds80

About 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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

7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 159448002) has the molecular formula C152H260N4O26Si24 and a molecular weight of 3233.82 g/mol. Its IUPAC name is 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 Name7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 CID159448002
Molecular FormulaC152H260N4O26Si24
Molecular Weight3233.82 g/mol
Exact Mass3229.36
IUPAC Name7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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
SMILESC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCC(CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)Oc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OC(CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc2)C6=O)cc1.C[Si](C)(C)O[Si](C)(CCCCC(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C5=O)O[Si](C)(C)C
InChIInChI=1S/C82H134N2O14Si12.C70H126N2O12Si12/c1-99(2,3)91-107(21,22)95-103(13,14)57-33-29-37-63(38-30-34-58-104(15,16)96-108(23,24)92-100(4,5)6)89-65-45-41-61(42-46-65)83-79(85)71-53-49-67-69-51-55-73-78-74(56-52-70(76(69)78)68-50-54-72(80(83)86)77(71)75(67)68)82(88)84(81(73)87)62-43-47-66(48-44-62)90-64(39-31-35-59-105(17,18)97-109(25,26)93-101(7,8)9)40-32-36-60-106(19,20)98-110(27,28)94-102(10,11)12;1-85(2,3)77-93(25,78-86(4,5)6)49-33-29-37-53(38-30-34-50-94(26,79-87(7,8)9)80-88(10,11)12)71-67(73)59-45-41-55-57-43-47-61-66-62(48-44-58(64(57)66)56-42-46-60(68(71)74)65(59)63(55)56)70(76)72(69(61)75)54(39-31-35-51-95(27,81-89(13,14)15)82-90(16,17)18)40-32-36-52-96(28,83-91(19,20)21)84-92(22,23)24/h41-56,63-64H,29-40,57-60H2,1-28H3;41-48,53-54H,29-40,49-52H2,1-28H3
InChIKeyLSZSYQHDLASSRH-UHFFFAOYSA-N
XLogP46.06
TPSA315.66 Ų
H-Bond Donors
H-Bond Acceptors26
Rotatable Bonds80
Heavy Atoms206
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003233.82
LogP ≤ 546.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1026

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'}

Analyze 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 159448002) is 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 C[Si](C)(C)O[Si](C)(C)O[Si](C)(C)CCCCC(CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)Oc1ccc(N2C(=O)c3ccc4c5ccc6c7c(ccc(c8ccc(c3c48)C2=O)c75)C(=O)N(c2ccc(OC(CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)CCCC[Si](C)(C)O[Si](C)(C)O[Si](C)(C)C)cc2)C6=O)cc1.C[Si](C)(C)O[Si](C)(CCCCC(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)N1C(=O)c2ccc3c4ccc5c6c(ccc(c7ccc(c2c37)C1=O)c64)C(=O)N(C(CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)CCCC[Si](C)(O[Si](C)(C)C)O[Si](C)(C)C)C5=O)O[Si](C)(C)C.
What is the InChIKey of 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 LSZSYQHDLASSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H134N2O14Si12.C70H126N2O12Si12/c1-99(2,3)91-107(21,22)95-103(13,14)57-33-29-37-63(38-30-34-58-104(15,16)96-108(23,24)92-100(4,5)6)89-65-45-41-61(42-46-65)83-79(85)71-53-49-67-69-51-55-73-78-74(56-52-70(76(69)78)68-50-54-72(80(83)86)77(71)75(67)68)82(88)84(81(73)87)62-43-47-66(48-44-62)90-64(39-31-35-59-105(17,18)97-109(25,26)93-101(7,8)9)40-32-36-60-106(19,20)98-110(27,28)94-102(10,11)12;1-85(2,3)77-93(25,78-86(4,5)6)49-33-29-37-53(38-30-34-50-94(26,79-87(7,8)9)80-88(10,11)12)71-67(73)59-45-41-55-57-43-47-61-66-62(48-44-58(64(57)66)56-42-46-60(68(71)74)65(59)63(55)56)70(76)72(69(61)75)54(39-31-35-51-95(27,81-89(13,14)15)82-90(16,17)18)40-32-36-52-96(28,83-91(19,20)21)84-92(22,23)24/h41-56,63-64H,29-40,57-60H2,1-28H3;41-48,53-54H,29-40,49-52H2,1-28H3.
What are the key properties of 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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?
7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 3233.82 g/mol, XLogP of 46.06, 80 rotatable bonds, 0 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 7,18-bis[4-[1,9-bis[[dimethyl(trimethylsilyloxy)silyl]oxy-dimethylsilyl]nonan-5-yloxy]phenyl]-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;7,18-bis[1,9-bis[methyl-bis(trimethylsilyloxy)silyl]nonan-5-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 159448002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).