2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

C86H106F2N2O2 — CID 156737097

IUPAC2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1CCCCCc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O
InChIInChI=1S/C86H106F2N2O2/c1-52-39-61(88)49-68(70-41-59(86(22,23)51-80(5,6)7)47-76(78(70)92)90-73-44-56(83(14,15)16)32-37-65(73)66-38-33-57(45-74(66)90)84(17,18)19)62(52)28-26-24-25-27-53-29-34-60(87)48-67(53)69-40-58(85(20,21)50-79(2,3)4)46-75(77(69)91)89-71-42-54(81(8,9)10)30-35-63(71)64-36-31-55(43-72(64)89)82(11,12)13/h29-49,91-92H,24-28,50-51H2,1-23H3
InChIKeyRCWPIYKELLMHOC-UHFFFAOYSA-N
MW1237.80 g/mol
LogP24.79
Rot. Bonds14

About 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol

2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 156737097) has the molecular formula C86H106F2N2O2 and a molecular weight of 1237.80 g/mol. Its IUPAC name is 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID156737097
Molecular FormulaC86H106F2N2O2
Molecular Weight1237.80 g/mol
Exact Mass1236.82
IUPAC Name2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1CCCCCc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O
InChIInChI=1S/C86H106F2N2O2/c1-52-39-61(88)49-68(70-41-59(86(22,23)51-80(5,6)7)47-76(78(70)92)90-73-44-56(83(14,15)16)32-37-65(73)66-38-33-57(45-74(66)90)84(17,18)19)62(52)28-26-24-25-27-53-29-34-60(87)48-67(53)69-40-58(85(20,21)50-79(2,3)4)46-75(77(69)91)89-71-42-54(81(8,9)10)30-35-63(71)64-36-31-55(43-72(64)89)82(11,12)13/h29-49,91-92H,24-28,50-51H2,1-23H3
InChIKeyRCWPIYKELLMHOC-UHFFFAOYSA-N
XLogP24.79
TPSA50.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms92
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001237.80
LogP ≤ 524.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol with MolForge

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Related Compounds

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-(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-[4-(2-Amino-5-carbazol-9-ylphenyl)-2,5-difluorophenyl]-4-carbazol-9-ylphenol
CID 59146905
2,5-Bis(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol
CID 59146925
4-Carbazol-9-yl-2-[5-(5-carbazol-9-yl-2-nitrophenyl)-2,4-difluorophenyl]phenol
CID 59146973
2-[5-(2-Amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol
CID 59147031
2-[2-(2-Amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol
CID 59147285
4-Carbazol-9-yl-2-[2-(5-carbazol-9-yl-2-nitrophenyl)-3,6-difluorophenyl]phenol
CID 59147392

Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 156737097) is 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-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)C)ccc4c4ccc(C(C)(C)C)cc43)c2O)c1CCCCCc1ccc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1O.
What is the InChIKey of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is RCWPIYKELLMHOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C86H106F2N2O2/c1-52-39-61(88)49-68(70-41-59(86(22,23)51-80(5,6)7)47-76(78(70)92)90-73-44-56(83(14,15)16)32-37-65(73)66-38-33-57(45-74(66)90)84(17,18)19)62(52)28-26-24-25-27-53-29-34-60(87)48-67(53)69-40-58(85(20,21)50-79(2,3)4)46-75(77(69)91)89-71-42-54(81(8,9)10)30-35-63(71)64-36-31-55(43-72(64)89)82(11,12)13/h29-49,91-92H,24-28,50-51H2,1-23H3.
What are the key properties of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 1237.80 g/mol, XLogP of 24.79, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[5-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenyl]pentyl]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 156737097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).