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

C82H98F2N2O4 — CID 166893994

IUPAC2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)cc(CCc3cc(F)cc(-c4cc(C(C)(C)CC(C)(C)C)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4O)c3O)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1
InChIInChI=1S/C82H98F2N2O4/c1-75(2,3)45-81(19,20)53-35-61(73(89)69(41-53)85-65-37-49(77(7,8)9)25-29-57(65)58-30-26-50(38-66(58)85)78(10,11)12)63-43-55(83)33-47(71(63)87)23-24-48-34-56(84)44-64(72(48)88)62-36-54(82(21,22)46-76(4,5)6)42-70(74(62)90)86-67-39-51(79(13,14)15)27-31-59(67)60-32-28-52(40-68(60)86)80(16,17)18/h25-44,87-90H,23-24,45-46H2,1-22H3
InChIKeyZWUJYWMSGLERPN-UHFFFAOYSA-N
MW1213.69 g/mol
LogP22.72
Rot. Bonds11

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

2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 166893994) has the molecular formula C82H98F2N2O4 and a molecular weight of 1213.69 g/mol. Its IUPAC name is 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID166893994
Molecular FormulaC82H98F2N2O4
Molecular Weight1213.69 g/mol
Exact Mass1212.75
IUPAC Name2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)cc(CCc3cc(F)cc(-c4cc(C(C)(C)CC(C)(C)C)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4O)c3O)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1
InChIInChI=1S/C82H98F2N2O4/c1-75(2,3)45-81(19,20)53-35-61(73(89)69(41-53)85-65-37-49(77(7,8)9)25-29-57(65)58-30-26-50(38-66(58)85)78(10,11)12)63-43-55(83)33-47(71(63)87)23-24-48-34-56(84)44-64(72(48)88)62-36-54(82(21,22)46-76(4,5)6)42-70(74(62)90)86-67-39-51(79(13,14)15)27-31-59(67)60-32-28-52(40-68(60)86)80(16,17)18/h25-44,87-90H,23-24,45-46H2,1-22H3
InChIKeyZWUJYWMSGLERPN-UHFFFAOYSA-N
XLogP22.72
TPSA90.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms90
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001213.69
LogP ≤ 522.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol (CID 166893994) is 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is CC(C)(C)CC(C)(C)c1cc(-c2cc(F)cc(CCc3cc(F)cc(-c4cc(C(C)(C)CC(C)(C)C)cc(-n5c6cc(C(C)(C)C)ccc6c6ccc(C(C)(C)C)cc65)c4O)c3O)c2O)c(O)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.
What is the InChIKey of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is ZWUJYWMSGLERPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C82H98F2N2O4/c1-75(2,3)45-81(19,20)53-35-61(73(89)69(41-53)85-65-37-49(77(7,8)9)25-29-57(65)58-30-26-50(38-66(58)85)78(10,11)12)63-43-55(83)33-47(71(63)87)23-24-48-34-56(84)44-64(72(48)88)62-36-54(82(21,22)46-76(4,5)6)42-70(74(62)90)86-67-39-51(79(13,14)15)27-31-59(67)60-32-28-52(40-68(60)86)80(16,17)18/h25-44,87-90H,23-24,45-46H2,1-22H3.
What are the key properties of 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol?
2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 1213.69 g/mol, XLogP of 22.72, 11 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,7-ditert-butylcarbazol-9-yl)-6-[3-[2-[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-5-fluoro-2-hydroxyphenyl]ethyl]-5-fluoro-2-hydroxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 166893994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).