2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C101H136F2N2O3 — CID 176653579

IUPAC2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)CC(C)(C)C)ccc4c4ccc(C(C)(C)CC(C)(C)C)cc43)c2O)c1CCCOc1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)CC(C)(C)C)ccc3c3ccc(C(C)(C)CC(C)(C)C)cc32)c1O
InChIInChI=1S/C101H136F2N2O3/c1-62-44-70(102)54-77(78-46-68(100(29,30)60-94(15,16)17)52-85(87(78)106)104-81-48-64(96(21,22)56-90(3,4)5)35-39-73(81)74-40-36-65(49-82(74)104)97(23,24)57-91(6,7)8)72(62)34-33-43-108-89-63(2)45-71(103)55-80(89)79-47-69(101(31,32)61-95(18,19)20)53-86(88(79)107)105-83-50-66(98(25,26)58-92(9,10)11)37-41-75(83)76-42-38-67(51-84(76)105)99(27,28)59-93(12,13)14/h35-42,44-55,106-107H,33-34,43,56-61H2,1-32H3
InChIKeyPYDHDZPXVBGYBB-UHFFFAOYSA-N
MW1464.21 g/mol
LogP29.82
Rot. Bonds21

About 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 176653579) has the molecular formula C101H136F2N2O3 and a molecular weight of 1464.21 g/mol. Its IUPAC name is 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID176653579
Molecular FormulaC101H136F2N2O3
Molecular Weight1464.21 g/mol
Exact Mass1463.05
IUPAC Name2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)CC(C)(C)C)ccc4c4ccc(C(C)(C)CC(C)(C)C)cc43)c2O)c1CCCOc1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)CC(C)(C)C)ccc3c3ccc(C(C)(C)CC(C)(C)C)cc32)c1O
InChIInChI=1S/C101H136F2N2O3/c1-62-44-70(102)54-77(78-46-68(100(29,30)60-94(15,16)17)52-85(87(78)106)104-81-48-64(96(21,22)56-90(3,4)5)35-39-73(81)74-40-36-65(49-82(74)104)97(23,24)57-91(6,7)8)72(62)34-33-43-108-89-63(2)45-71(103)55-80(89)79-47-69(101(31,32)61-95(18,19)20)53-86(88(79)107)105-83-50-66(98(25,26)58-92(9,10)11)37-41-75(83)76-42-38-67(51-84(76)105)99(27,28)59-93(12,13)14/h35-42,44-55,106-107H,33-34,43,56-61H2,1-32H3
InChIKeyPYDHDZPXVBGYBB-UHFFFAOYSA-N
XLogP29.82
TPSA59.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds21
Heavy Atoms108
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001464.21
LogP ≤ 529.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-4-(2,4-dimethylpentan-2-yl)phenol
CID 168744976
2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenoxy]propoxy]-3,5-difluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 121290068
2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[2-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]ethoxy]-5-fluoro-3-methylphenyl]-4-(2-methylbutan-2-yl)phenol
CID 157203006
2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-propan-2-ylphenoxy]propoxy]-5-fluoro-3-propan-2-ylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 140693164
CID 154613201
CID 154613201
2-(2,7-dibromocarbazol-9-yl)-6-[2-[4-[2-[3-(3,5-ditert-butylpyridin-1-ium-1-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]butoxy]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 140759563
2-(2,7-ditert-butylcarbazol-9-yl)-6-[8-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propoxy]-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 153465535
2-(2,7-ditert-butylcarbazol-9-yl)-6-[7-[3-[[6-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methyl-1-benzothiophen-7-yl]oxy]propoxy]-4-methyl-1-benzothiophen-6-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 140883436
2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol
CID 164879218
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
2-(2,7-dimethylcarbazol-9-yl)-6-[5-fluoro-3-methyl-2-[[(1R,2R)-2-methylcyclohexyl]methoxy]phenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 140759572
2-(2,7-ditert-butylcarbazol-9-yl)-6-[4-[3-[[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl]oxy]propoxy]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 140883403

Frequently Asked Questions

What is the IUPAC name of 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 176653579) is 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)CC(C)(C)C)ccc4c4ccc(C(C)(C)CC(C)(C)C)cc43)c2O)c1CCCOc1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)CC(C)(C)C)ccc3c3ccc(C(C)(C)CC(C)(C)C)cc32)c1O.
What is the InChIKey of 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is PYDHDZPXVBGYBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C101H136F2N2O3/c1-62-44-70(102)54-77(78-46-68(100(29,30)60-94(15,16)17)52-85(87(78)106)104-81-48-64(96(21,22)56-90(3,4)5)35-39-73(81)74-40-36-65(49-82(74)104)97(23,24)57-91(6,7)8)72(62)34-33-43-108-89-63(2)45-71(103)55-80(89)79-47-69(101(31,32)61-95(18,19)20)53-86(88(79)107)105-83-50-66(98(25,26)58-92(9,10)11)37-41-75(83)76-42-38-67(51-84(76)105)99(27,28)59-93(12,13)14/h35-42,44-55,106-107H,33-34,43,56-61H2,1-32H3.
What are the key properties of 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 1464.21 g/mol, XLogP of 29.82, 21 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-[2-[3-[2-[3-[2,7-bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]propyl]-5-fluoro-3-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 176653579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).