[9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane

C83H104F2N2O6Si2 — CID 174079881

IUPAC[9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane
SMILESCCOCOc1c(-c2cc(F)cc(C)c2OCCCOc2c(C)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C)ccc4c4ccc([Si](C)(C)C)cc43)c2OCOCC)cc(C(C)(C)CC(C)(C)C)cc1-n1c2cc(C)ccc2c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C83H104F2N2O6Si2/c1-23-88-50-92-78-66(40-56(82(13,14)48-80(7,8)9)42-74(78)86-70-36-52(3)26-30-62(70)64-32-28-60(46-72(64)86)94(17,18)19)68-44-58(84)38-54(5)76(68)90-34-25-35-91-77-55(6)39-59(85)45-69(77)67-41-57(83(15,16)49-81(10,11)12)43-75(79(67)93-51-89-24-2)87-71-37-53(4)27-31-63(71)65-33-29-61(47-73(65)87)95(20,21)22/h26-33,36-47H,23-25,34-35,48-51H2,1-22H3
InChIKeyZAYPVBPHBABMRH-UHFFFAOYSA-N
MW1319.92 g/mol
LogP21.84
Rot. Bonds24

About [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane

[9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane (PubChem CID 174079881) has the molecular formula C83H104F2N2O6Si2 and a molecular weight of 1319.92 g/mol. Its IUPAC name is [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane
PubChem CID174079881
Molecular FormulaC83H104F2N2O6Si2
Molecular Weight1319.92 g/mol
Exact Mass1318.74
IUPAC Name[9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane
SMILESCCOCOc1c(-c2cc(F)cc(C)c2OCCCOc2c(C)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C)ccc4c4ccc([Si](C)(C)C)cc43)c2OCOCC)cc(C(C)(C)CC(C)(C)C)cc1-n1c2cc(C)ccc2c2ccc([Si](C)(C)C)cc21
InChIInChI=1S/C83H104F2N2O6Si2/c1-23-88-50-92-78-66(40-56(82(13,14)48-80(7,8)9)42-74(78)86-70-36-52(3)26-30-62(70)64-32-28-60(46-72(64)86)94(17,18)19)68-44-58(84)38-54(5)76(68)90-34-25-35-91-77-55(6)39-59(85)45-69(77)67-41-57(83(15,16)49-81(10,11)12)43-75(79(67)93-51-89-24-2)87-71-37-53(4)27-31-63(71)65-33-29-61(47-73(65)87)95(20,21)22/h26-33,36-47H,23-25,34-35,48-51H2,1-22H3
InChIKeyZAYPVBPHBABMRH-UHFFFAOYSA-N
XLogP21.84
TPSA65.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds24
Heavy Atoms95
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001319.92
LogP ≤ 521.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane?
The IUPAC name of [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane (CID 174079881) is [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane.
What is the SMILES notation for [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane?
The canonical SMILES for [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane is CCOCOc1c(-c2cc(F)cc(C)c2OCCCOc2c(C)cc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C)ccc4c4ccc([Si](C)(C)C)cc43)c2OCOCC)cc(C(C)(C)CC(C)(C)C)cc1-n1c2cc(C)ccc2c2ccc([Si](C)(C)C)cc21.
What is the InChIKey of [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane?
The InChIKey is ZAYPVBPHBABMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C83H104F2N2O6Si2/c1-23-88-50-92-78-66(40-56(82(13,14)48-80(7,8)9)42-74(78)86-70-36-52(3)26-30-62(70)64-32-28-60(46-72(64)86)94(17,18)19)68-44-58(84)38-54(5)76(68)90-34-25-35-91-77-55(6)39-59(85)45-69(77)67-41-57(83(15,16)49-81(10,11)12)43-75(79(67)93-51-89-24-2)87-71-37-53(4)27-31-63(71)65-33-29-61(47-73(65)87)95(20,21)22/h26-33,36-47H,23-25,34-35,48-51H2,1-22H3.
What are the key properties of [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane?
[9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane has a molecular weight of 1319.92 g/mol, XLogP of 21.84, 24 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[2-(ethoxymethoxy)-3-[2-[3-[2-[2-(ethoxymethoxy)-3-(2-methyl-7-trimethylsilylcarbazol-9-yl)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-trimethylsilane is sourced from PubChem (CID 174079881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).