2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole

C93H116F2N2O6 — CID 156817664

IUPAC2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2OC2CCCCO2)c(OC2CCCCO2)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1
InChIInChI=1S/C93H116F2N2O6/c1-86(2,3)56-92(19,20)62-46-72(84(102-82-28-23-25-42-100-82)78(52-62)96-74-48-58(88(7,8)9)30-36-66(74)67-37-31-59(49-75(67)96)89(10,11)12)70-54-64(94)34-40-80(70)98-44-27-45-99-81-41-35-65(95)55-71(81)73-47-63(93(21,22)57-87(4,5)6)53-79(85(73)103-83-29-24-26-43-101-83)97-76-50-60(90(13,14)15)32-38-68(76)69-39-33-61(51-77(69)97)91(16,17)18/h30-41,46-55,82-83H,23-29,42-45,56-57H2,1-22H3
InChIKeyFEKGUFUQDOHWNO-UHFFFAOYSA-N
MW1395.95 g/mol
LogP25.77
Rot. Bonds18

About 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole

2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole (PubChem CID 156817664) has the molecular formula C93H116F2N2O6 and a molecular weight of 1395.95 g/mol. Its IUPAC name is 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole.

Molecular Properties

Compound Name2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole
PubChem CID156817664
Molecular FormulaC93H116F2N2O6
Molecular Weight1395.95 g/mol
Exact Mass1394.88
IUPAC Name2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole
SMILESCC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2OC2CCCCO2)c(OC2CCCCO2)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1
InChIInChI=1S/C93H116F2N2O6/c1-86(2,3)56-92(19,20)62-46-72(84(102-82-28-23-25-42-100-82)78(52-62)96-74-48-58(88(7,8)9)30-36-66(74)67-37-31-59(49-75(67)96)89(10,11)12)70-54-64(94)34-40-80(70)98-44-27-45-99-81-41-35-65(95)55-71(81)73-47-63(93(21,22)57-87(4,5)6)53-79(85(73)103-83-29-24-26-43-101-83)97-76-50-60(90(13,14)15)32-38-68(76)69-39-33-61(51-77(69)97)91(16,17)18/h30-41,46-55,82-83H,23-29,42-45,56-57H2,1-22H3
InChIKeyFEKGUFUQDOHWNO-UHFFFAOYSA-N
XLogP25.77
TPSA65.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms103
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001395.95
LogP ≤ 525.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole?
The IUPAC name of 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole (CID 156817664) is 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole.
What is the SMILES notation for 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole?
The canonical SMILES for 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole is CC(C)(C)CC(C)(C)c1cc(-c2cc(F)ccc2OCCCOc2ccc(F)cc2-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2OC2CCCCO2)c(OC2CCCCO2)c(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1.
What is the InChIKey of 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole?
The InChIKey is FEKGUFUQDOHWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C93H116F2N2O6/c1-86(2,3)56-92(19,20)62-46-72(84(102-82-28-23-25-42-100-82)78(52-62)96-74-48-58(88(7,8)9)30-36-66(74)67-37-31-59(49-75(67)96)89(10,11)12)70-54-64(94)34-40-80(70)98-44-27-45-99-81-41-35-65(95)55-71(81)73-47-63(93(21,22)57-87(4,5)6)53-79(85(73)103-83-29-24-26-43-101-83)97-76-50-60(90(13,14)15)32-38-68(76)69-39-33-61(51-77(69)97)91(16,17)18/h30-41,46-55,82-83H,23-29,42-45,56-57H2,1-22H3.
What are the key properties of 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole?
2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole has a molecular weight of 1395.95 g/mol, XLogP of 25.77, 18 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-ditert-butyl-9-[3-[2-[3-[2-[3-(2,7-ditert-butylcarbazol-9-yl)-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole is sourced from PubChem (CID 156817664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).