[9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane

C87H96F2N2O4Si2 — CID 174079886

IUPAC[9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane
SMILESCOc1c(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C)ccc4c4ccc([Si](C)(C)c5ccccc5)cc43)c2OC)cc(C(C)(C)CC(C)(C)C)cc1-n1c2cc(C)ccc2c2ccc([Si](C)(C)c3ccccc3)cc21
InChIInChI=1S/C87H96F2N2O4Si2/c1-56-30-36-66-68-38-34-64(96(15,16)62-26-21-19-22-27-62)52-76(68)90(74(66)44-56)78-48-58(86(9,10)54-84(3,4)5)46-72(82(78)92-13)70-50-60(88)32-40-80(70)94-42-25-43-95-81-41-33-61(89)51-71(81)73-47-59(87(11,12)55-85(6,7)8)49-79(83(73)93-14)91-75-45-57(2)31-37-67(75)69-39-35-65(53-77(69)91)97(17,18)63-28-23-20-24-29-63/h19-24,26-41,44-53H,25,42-43,54-55H2,1-18H3
InChIKeySSCMSTIEHNSTIG-UHFFFAOYSA-N
MW1327.90 g/mol
LogP21.05
Rot. Bonds20

About [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane

[9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane (PubChem CID 174079886) has the molecular formula C87H96F2N2O4Si2 and a molecular weight of 1327.90 g/mol. Its IUPAC name is [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane.

Molecular Properties

Compound Name[9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane
PubChem CID174079886
Molecular FormulaC87H96F2N2O4Si2
Molecular Weight1327.90 g/mol
Exact Mass1326.69
IUPAC Name[9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane
SMILESCOc1c(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C)ccc4c4ccc([Si](C)(C)c5ccccc5)cc43)c2OC)cc(C(C)(C)CC(C)(C)C)cc1-n1c2cc(C)ccc2c2ccc([Si](C)(C)c3ccccc3)cc21
InChIInChI=1S/C87H96F2N2O4Si2/c1-56-30-36-66-68-38-34-64(96(15,16)62-26-21-19-22-27-62)52-76(68)90(74(66)44-56)78-48-58(86(9,10)54-84(3,4)5)46-72(82(78)92-13)70-50-60(88)32-40-80(70)94-42-25-43-95-81-41-33-61(89)51-71(81)73-47-59(87(11,12)55-85(6,7)8)49-79(83(73)93-14)91-75-45-57(2)31-37-67(75)69-39-35-65(53-77(69)91)97(17,18)63-28-23-20-24-29-63/h19-24,26-41,44-53H,25,42-43,54-55H2,1-18H3
InChIKeySSCMSTIEHNSTIG-UHFFFAOYSA-N
XLogP21.05
TPSA46.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms97
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001327.90
LogP ≤ 521.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane with MolForge

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Frequently Asked Questions

What is the IUPAC name of [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane?
The IUPAC name of [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane (CID 174079886) is [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane.
What is the SMILES notation for [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane?
The canonical SMILES for [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane is COc1c(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C)ccc4c4ccc([Si](C)(C)c5ccccc5)cc43)c2OC)cc(C(C)(C)CC(C)(C)C)cc1-n1c2cc(C)ccc2c2ccc([Si](C)(C)c3ccccc3)cc21.
What is the InChIKey of [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane?
The InChIKey is SSCMSTIEHNSTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C87H96F2N2O4Si2/c1-56-30-36-66-68-38-34-64(96(15,16)62-26-21-19-22-27-62)52-76(68)90(74(66)44-56)78-48-58(86(9,10)54-84(3,4)5)46-72(82(78)92-13)70-50-60(88)32-40-80(70)94-42-25-43-95-81-41-33-61(89)51-71(81)73-47-59(87(11,12)55-85(6,7)8)49-79(83(73)93-14)91-75-45-57(2)31-37-67(75)69-39-35-65(53-77(69)91)97(17,18)63-28-23-20-24-29-63/h19-24,26-41,44-53H,25,42-43,54-55H2,1-18H3.
What are the key properties of [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane?
[9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane has a molecular weight of 1327.90 g/mol, XLogP of 21.05, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[3-[2-[3-[2-[3-[2-[dimethyl(phenyl)silyl]-7-methylcarbazol-9-yl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-methoxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-7-methylcarbazol-2-yl]-dimethyl-phenylsilane is sourced from PubChem (CID 174079886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).