[4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate

C92H100N4O18Si2 — CID 166050217

IUPAC[4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate
SMILESCO[Si](Cc1ccnc(OC(=O)C(C(C)C)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c8c(Oc9ccc(C(C)C)cc9C)cc(c3c48)C2=O)c75)C(=O)N(C(C(=O)Oc2cc(C[Si](OC)(OC)OC)ccn2)C(C)C)C6=O)c1)(OC)OC
InChIInChI=1S/C92H100N4O18Si2/c1-47(2)59-23-27-67(53(13)35-59)109-71-41-63-77-64(88(98)95(87(63)97)85(51(9)10)91(101)113-75-39-57(31-33-93-75)45-115(103-17,104-18)105-19)43-73(111-69-29-25-61(49(5)6)37-55(69)15)81-82-74(112-70-30-26-62(50(7)8)38-56(70)16)44-66-78-65(42-72(80(84(78)82)79(71)83(77)81)110-68-28-24-60(48(3)4)36-54(68)14)89(99)96(90(66)100)86(52(11)12)92(102)114-76-40-58(32-34-94-76)46-116(106-20,107-21)108-22/h23-44,47-52,85-86H,45-46H2,1-22H3
InChIKeyDNLAIJJARMXZGY-UHFFFAOYSA-N
MW1605.99 g/mol
LogP19.80
Rot. Bonds30

About [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate

[4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate (PubChem CID 166050217) has the molecular formula C92H100N4O18Si2 and a molecular weight of 1605.99 g/mol. Its IUPAC name is [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate.

Molecular Properties

Compound Name[4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate
PubChem CID166050217
Molecular FormulaC92H100N4O18Si2
Molecular Weight1605.99 g/mol
Exact Mass1604.66
IUPAC Name[4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate
SMILESCO[Si](Cc1ccnc(OC(=O)C(C(C)C)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c8c(Oc9ccc(C(C)C)cc9C)cc(c3c48)C2=O)c75)C(=O)N(C(C(=O)Oc2cc(C[Si](OC)(OC)OC)ccn2)C(C)C)C6=O)c1)(OC)OC
InChIInChI=1S/C92H100N4O18Si2/c1-47(2)59-23-27-67(53(13)35-59)109-71-41-63-77-64(88(98)95(87(63)97)85(51(9)10)91(101)113-75-39-57(31-33-93-75)45-115(103-17,104-18)105-19)43-73(111-69-29-25-61(49(5)6)37-55(69)15)81-82-74(112-70-30-26-62(50(7)8)38-56(70)16)44-66-78-65(42-72(80(84(78)82)79(71)83(77)81)110-68-28-24-60(48(3)4)36-54(68)14)89(99)96(90(66)100)86(52(11)12)92(102)114-76-40-58(32-34-94-76)46-116(106-20,107-21)108-22/h23-44,47-52,85-86H,45-46H2,1-22H3
InChIKeyDNLAIJJARMXZGY-UHFFFAOYSA-N
XLogP19.80
TPSA245.44 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds30
Heavy Atoms116
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001605.99
LogP ≤ 519.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'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 [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
The IUPAC name of [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate (CID 166050217) is [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate.
What is the SMILES notation for [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
The canonical SMILES for [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate is CO[Si](Cc1ccnc(OC(=O)C(C(C)C)N2C(=O)c3cc(Oc4ccc(C(C)C)cc4C)c4c5c(Oc6ccc(C(C)C)cc6C)cc6c7c(cc(Oc8ccc(C(C)C)cc8C)c(c8c(Oc9ccc(C(C)C)cc9C)cc(c3c48)C2=O)c75)C(=O)N(C(C(=O)Oc2cc(C[Si](OC)(OC)OC)ccn2)C(C)C)C6=O)c1)(OC)OC.
What is the InChIKey of [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
The InChIKey is DNLAIJJARMXZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C92H100N4O18Si2/c1-47(2)59-23-27-67(53(13)35-59)109-71-41-63-77-64(88(98)95(87(63)97)85(51(9)10)91(101)113-75-39-57(31-33-93-75)45-115(103-17,104-18)105-19)43-73(111-69-29-25-61(49(5)6)37-55(69)15)81-82-74(112-70-30-26-62(50(7)8)38-56(70)16)44-66-78-65(42-72(80(84(78)82)79(71)83(77)81)110-68-28-24-60(48(3)4)36-54(68)14)89(99)96(90(66)100)86(52(11)12)92(102)114-76-40-58(32-34-94-76)46-116(106-20,107-21)108-22/h23-44,47-52,85-86H,45-46H2,1-22H3.
What are the key properties of [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate?
[4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate has a molecular weight of 1605.99 g/mol, XLogP of 19.80, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trimethoxysilylmethyl)-2-pyridinyl] 3-methyl-2-[18-[3-methyl-1-oxo-1-[[4-(trimethoxysilylmethyl)-2-pyridinyl]oxy]butan-2-yl]-11,14,22,26-tetrakis(2-methyl-4-propan-2-ylphenoxy)-6,8,17,19-tetraoxo-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(22),2(26),3,5(25),9,11,13,15,20,23-decaen-7-yl]butanoate is sourced from PubChem (CID 166050217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).