2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol

C82H98F2N2O4 — CID 156736587

IUPAC2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)CCC(C)(C)c5ccc6c7ccc(C(C)(C)C)cc7n(-c7cc(C(C)(C)CC(C)(C)C)cc(-c8cc(F)cc(C)c8O)c7O)c6c5)cc43)c2O)c1O
InChIInChI=1S/C82H98F2N2O4/c1-47-33-55(83)43-63(71(47)87)61-35-53(81(19,20)45-75(3,4)5)41-69(73(61)89)85-65-37-49(77(9,10)11)23-27-57(65)59-29-25-51(39-67(59)85)79(15,16)31-32-80(17,18)52-26-30-60-58-28-24-50(78(12,13)14)38-66(58)86(68(60)40-52)70-42-54(82(21,22)46-76(6,7)8)36-62(74(70)90)64-44-56(84)34-48(2)72(64)88/h23-30,33-44,87-90H,31-32,45-46H2,1-22H3
InChIKeySCWCNHHSMZABRL-UHFFFAOYSA-N
MW1213.69 g/mol
LogP22.99
Rot. Bonds13

About 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol

2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol (PubChem CID 156736587) has the molecular formula C82H98F2N2O4 and a molecular weight of 1213.69 g/mol. Its IUPAC name is 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol.

Molecular Properties

Compound Name2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol
PubChem CID156736587
Molecular FormulaC82H98F2N2O4
Molecular Weight1213.69 g/mol
Exact Mass1212.75
IUPAC Name2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)CCC(C)(C)c5ccc6c7ccc(C(C)(C)C)cc7n(-c7cc(C(C)(C)CC(C)(C)C)cc(-c8cc(F)cc(C)c8O)c7O)c6c5)cc43)c2O)c1O
InChIInChI=1S/C82H98F2N2O4/c1-47-33-55(83)43-63(71(47)87)61-35-53(81(19,20)45-75(3,4)5)41-69(73(61)89)85-65-37-49(77(9,10)11)23-27-57(65)59-29-25-51(39-67(59)85)79(15,16)31-32-80(17,18)52-26-30-60-58-28-24-50(78(12,13)14)38-66(58)86(68(60)40-52)70-42-54(82(21,22)46-76(6,7)8)36-62(74(70)90)64-44-56(84)34-48(2)72(64)88/h23-30,33-44,87-90H,31-32,45-46H2,1-22H3
InChIKeySCWCNHHSMZABRL-UHFFFAOYSA-N
XLogP22.99
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.69
LogP ≤ 522.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol with MolForge

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Related Compounds

2-(1-hydroxy-3-methyl-9H-carbazol-2-yl)-3-methyl-9H-carbazol-1-ol
CID 6712793
1-[[4-[[5-Hydroxy-2-(4-hydroxyphenyl)-3-methylindol-1-yl]methyl]phenyl]methyl]-2-(4-hydroxyphenyl)-3-methylindol-5-ol
CID 127050101
rel-2a(2),2a(2)a(2)a(2)-[(1R,2R)-1,2-Cyclohexanediylbis(methyleneoxy)]bis[3-(9H-carbazol-9-yl)-5-methyl[1,1a(2)-biphenyl]-2-ol
CID 58219174
3-(2,7-di-tert-butyl-9H-carbazol9-yl)-5'-fluoro-3'-methyl-5-(2,4,4trimethylpentan-2-yl)-[1,1'-biphenyl]2,2'-diol
CID 123572932
3-(2,7-di-tert-butyl-9H-carbazol-9-yl)5'-fluoro-5-(2,4,4-trimethylpentan-2-yl)[1,1'-biphenyl]-2,2'-diol
CID 138987021
9-Benzyl-1-[9-benzyl-2-hydroxy-3-methyl-7-(trifluoromethyl)carbazol-1-yl]-3-methyl-7-(trifluoromethyl)carbazol-2-ol
CID 134962064
2-Carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-methylphenol
CID 20749780
2-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]propoxy]-5-fluorophenyl]-6-(9H-fluoren-9-yl)-4-methylphenol
CID 21026631
2-(3,6-Ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-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 58516562
2-[5-Chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-6-fluorophenoxy]propoxy]-3-fluorophenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 58516576
2,5-Bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol
CID 59146925
2-[5-(2-Amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol
CID 59147031

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?
The IUPAC name of 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol (CID 156736587) is 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol.
What is the SMILES notation for 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?
The canonical SMILES for 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol is Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)CCC(C)(C)c5ccc6c7ccc(C(C)(C)C)cc7n(-c7cc(C(C)(C)CC(C)(C)C)cc(-c8cc(F)cc(C)c8O)c7O)c6c5)cc43)c2O)c1O.
What is the InChIKey of 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?
The InChIKey is SCWCNHHSMZABRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H98F2N2O4/c1-47-33-55(83)43-63(71(47)87)61-35-53(81(19,20)45-75(3,4)5)41-69(73(61)89)85-65-37-49(77(9,10)11)23-27-57(65)59-29-25-51(39-67(59)85)79(15,16)31-32-80(17,18)52-26-30-60-58-28-24-50(78(12,13)14)38-66(58)86(68(60)40-52)70-42-54(82(21,22)46-76(6,7)8)36-62(74(70)90)64-44-56(84)34-48(2)72(64)88/h23-30,33-44,87-90H,31-32,45-46H2,1-22H3.
What are the key properties of 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol?
2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol has a molecular weight of 1213.69 g/mol, XLogP of 22.99, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-tert-butyl-7-[5-[7-tert-butyl-9-[3-(5-fluoro-2-hydroxy-3-methylphenyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazol-2-yl]-2,5-dimethylhexan-2-yl]carbazol-9-yl]-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol is sourced from PubChem (CID 156736587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).