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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium

C111H127F2N2O5ScSi- — CID 168796626

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-fluorophenoxy]propoxy]-5-fluorophenyl]-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)ccc5OCCCOc5ccc(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/C103H108F2N2O4.C4H8O.C4H11Si.Sc/c1-58-38-62(5)94(63(6)39-58)70-24-30-78-79-31-25-71(95-64(7)40-59(2)41-65(95)8)47-87(79)106(86(78)46-70)90-52-74(102(19,20)56-100(13,14)15)50-84(98(90)108)82-54-76(104)28-34-92(82)110-36-23-37-111-93-35-29-77(105)55-83(93)85-51-75(103(21,22)57-101(16,17)18)53-91(99(85)109)107-88-48-72(96-66(9)42-60(3)43-67(96)10)26-32-80(88)81-33-27-73(49-89(81)107)97-68(11)44-61(4)45-69(97)12;1-2-4-5-3-1;1-5(2,3)4;/h24-35,38-55,108-109H,23,36-37,56-57H2,1-22H3;1-4H2;1H2,2-4H3;/q;;-1;
InChIKeyIQHJQISYTSMSTF-UHFFFAOYSA-N
MW1680.28 g/mol
LogP31.04
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-fluorophenoxy]propoxy]-5-fluorophenyl]-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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium (PubChem CID 168796626) has the molecular formula C111H127F2N2O5ScSi- and a molecular weight of 1680.28 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-fluorophenoxy]propoxy]-5-fluorophenyl]-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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium
PubChem CID168796626
Molecular FormulaC111H127F2N2O5ScSi-
Molecular Weight1680.28 g/mol
Exact Mass1678.90
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-fluorophenoxy]propoxy]-5-fluorophenyl]-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)ccc5OCCCOc5ccc(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/C103H108F2N2O4.C4H8O.C4H11Si.Sc/c1-58-38-62(5)94(63(6)39-58)70-24-30-78-79-31-25-71(95-64(7)40-59(2)41-65(95)8)47-87(79)106(86(78)46-70)90-52-74(102(19,20)56-100(13,14)15)50-84(98(90)108)82-54-76(104)28-34-92(82)110-36-23-37-111-93-35-29-77(105)55-83(93)85-51-75(103(21,22)57-101(16,17)18)53-91(99(85)109)107-88-48-72(96-66(9)42-60(3)43-67(96)10)26-32-80(88)81-33-27-73(49-89(81)107)97-68(11)44-61(4)45-69(97)12;1-2-4-5-3-1;1-5(2,3)4;/h24-35,38-55,108-109H,23,36-37,56-57H2,1-22H3;1-4H2;1H2,2-4H3;/q;;-1;
InChIKeyIQHJQISYTSMSTF-UHFFFAOYSA-N
XLogP31.04
TPSA78.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms122
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001680.28
LogP ≤ 531.04
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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium 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 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-fluorophenoxy]propoxy]-5-fluorophenyl]-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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium (CID 168796626) 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-fluorophenoxy]propoxy]-5-fluorophenyl]-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-fluorophenoxy]propoxy]-5-fluorophenyl]-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-fluorophenoxy]propoxy]-5-fluorophenyl]-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)ccc5OCCCOc5ccc(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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium?
The InChIKey is IQHJQISYTSMSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C103H108F2N2O4.C4H8O.C4H11Si.Sc/c1-58-38-62(5)94(63(6)39-58)70-24-30-78-79-31-25-71(95-64(7)40-59(2)41-65(95)8)47-87(79)106(86(78)46-70)90-52-74(102(19,20)56-100(13,14)15)50-84(98(90)108)82-54-76(104)28-34-92(82)110-36-23-37-111-93-35-29-77(105)55-83(93)85-51-75(103(21,22)57-101(16,17)18)53-91(99(85)109)107-88-48-72(96-66(9)42-60(3)43-67(96)10)26-32-80(88)81-33-27-73(49-89(81)107)97-68(11)44-61(4)45-69(97)12;1-2-4-5-3-1;1-5(2,3)4;/h24-35,38-55,108-109H,23,36-37,56-57H2,1-22H3;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-fluorophenoxy]propoxy]-5-fluorophenyl]-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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium has a molecular weight of 1680.28 g/mol, XLogP of 31.04, 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-fluorophenoxy]propoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;methanidyl(trimethyl)silane;oxolane;scandium is sourced from PubChem (CID 168796626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).