2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium

C113H131F2N2O5ScSi- — CID 168796628

IUPAC2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium
SMILESC1CCOC1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cc(F)cc(C)c5OCCCOc5c(C)cc(F)cc5-c5cc(C(C)(C)CC(C)(C)C)cc(-n6c7cc(-c8c(C)cc(C)cc8C)ccc7c7ccc(-c8c(C)cc(C)cc8C)cc76)c5O)c4O)c3c2)c(C)c1.[CH2-][Si](C)(C)C.[Sc]
InChIInChI=1S/C105H112F2N2O4.C4H8O.C4H11Si.Sc/c1-58-36-62(5)94(63(6)37-58)72-26-30-80-81-31-27-73(95-64(7)38-59(2)39-65(95)8)47-89(81)108(88(80)46-72)92-52-76(104(21,22)56-102(15,16)17)50-84(98(92)110)86-54-78(106)44-70(13)100(86)112-34-25-35-113-101-71(14)45-79(107)55-87(101)85-51-77(105(23,24)57-103(18,19)20)53-93(99(85)111)109-90-48-74(96-66(9)40-60(3)41-67(96)10)28-32-82(90)83-33-29-75(49-91(83)109)97-68(11)42-61(4)43-69(97)12;1-2-4-5-3-1;1-5(2,3)4;/h26-33,36-55,110-111H,25,34-35,56-57H2,1-24H3;1-4H2;1H2,2-4H3;/q;;-1;
InChIKeyWOCGLXIRIGACIM-UHFFFAOYSA-N
MW1708.34 g/mol
LogP31.66
Rot. Bonds18

About 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium

2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium (PubChem CID 168796628) has the molecular formula C113H131F2N2O5ScSi- and a molecular weight of 1708.34 g/mol. Its IUPAC name is 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium.

Molecular Properties

Compound Name2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium
PubChem CID168796628
Molecular FormulaC113H131F2N2O5ScSi-
Molecular Weight1708.34 g/mol
Exact Mass1706.94
IUPAC Name2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium
SMILESC1CCOC1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cc(F)cc(C)c5OCCCOc5c(C)cc(F)cc5-c5cc(C(C)(C)CC(C)(C)C)cc(-n6c7cc(-c8c(C)cc(C)cc8C)ccc7c7ccc(-c8c(C)cc(C)cc8C)cc76)c5O)c4O)c3c2)c(C)c1.[CH2-][Si](C)(C)C.[Sc]
InChIInChI=1S/C105H112F2N2O4.C4H8O.C4H11Si.Sc/c1-58-36-62(5)94(63(6)37-58)72-26-30-80-81-31-27-73(95-64(7)38-59(2)39-65(95)8)47-89(81)108(88(80)46-72)92-52-76(104(21,22)56-102(15,16)17)50-84(98(92)110)86-54-78(106)44-70(13)100(86)112-34-25-35-113-101-71(14)45-79(107)55-87(101)85-51-77(105(23,24)57-103(18,19)20)53-93(99(85)111)109-90-48-74(96-66(9)40-60(3)41-67(96)10)28-32-82(90)83-33-29-75(49-91(83)109)97-68(11)42-61(4)43-69(97)12;1-2-4-5-3-1;1-5(2,3)4;/h26-33,36-55,110-111H,25,34-35,56-57H2,1-24H3;1-4H2;1H2,2-4H3;/q;;-1;
InChIKeyWOCGLXIRIGACIM-UHFFFAOYSA-N
XLogP31.66
TPSA78.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms124
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001708.34
LogP ≤ 531.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium?
The IUPAC name of 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium (CID 168796628) is 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium.
What is the SMILES notation for 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium?
The canonical SMILES for 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium is C1CCOC1.Cc1cc(C)c(-c2ccc3c4ccc(-c5c(C)cc(C)cc5C)cc4n(-c4cc(C(C)(C)CC(C)(C)C)cc(-c5cc(F)cc(C)c5OCCCOc5c(C)cc(F)cc5-c5cc(C(C)(C)CC(C)(C)C)cc(-n6c7cc(-c8c(C)cc(C)cc8C)ccc7c7ccc(-c8c(C)cc(C)cc8C)cc76)c5O)c4O)c3c2)c(C)c1.[CH2-][Si](C)(C)C.[Sc].
What is the InChIKey of 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium?
The InChIKey is WOCGLXIRIGACIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C105H112F2N2O4.C4H8O.C4H11Si.Sc/c1-58-36-62(5)94(63(6)37-58)72-26-30-80-81-31-27-73(95-64(7)38-59(2)39-65(95)8)47-89(81)108(88(80)46-72)92-52-76(104(21,22)56-102(15,16)17)50-84(98(92)110)86-54-78(106)44-70(13)100(86)112-34-25-35-113-101-71(14)45-79(107)55-87(101)85-51-77(105(23,24)57-103(18,19)20)53-93(99(85)111)109-90-48-74(96-66(9)40-60(3)41-67(96)10)28-32-82(90)83-33-29-75(49-91(83)109)97-68(11)42-61(4)43-69(97)12;1-2-4-5-3-1;1-5(2,3)4;/h26-33,36-55,110-111H,25,34-35,56-57H2,1-24H3;1-4H2;1H2,2-4H3;/q;;-1;.
What are the key properties of 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium?
2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium has a molecular weight of 1708.34 g/mol, XLogP of 31.66, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,6-trimethylphenyl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium is sourced from PubChem (CID 168796628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).