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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole

C95H120F2N2O6 — CID 90259188

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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2OC2CCCCO2)c1OCCCOc1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1OC1CCCCO1
InChIInChI=1S/C95H120F2N2O6/c1-58-44-66(96)54-74(72-46-64(94(21,22)56-88(3,4)5)52-80(86(72)104-82-30-25-27-40-100-82)98-76-48-60(90(9,10)11)32-36-68(76)69-37-33-61(49-77(69)98)91(12,13)14)84(58)102-42-29-43-103-85-59(2)45-67(97)55-75(85)73-47-65(95(23,24)57-89(6,7)8)53-81(87(73)105-83-31-26-28-41-101-83)99-78-50-62(92(15,16)17)34-38-70(78)71-39-35-63(51-79(71)99)93(18,19)20/h32-39,44-55,82-83H,25-31,40-43,56-57H2,1-24H3
InChIKeyLDBZUBMVXAIUGU-UHFFFAOYSA-N
MW1424.01 g/mol
LogP26.39
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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole (PubChem CID 90259188) has the molecular formula C95H120F2N2O6 and a molecular weight of 1424.01 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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole
PubChem CID90259188
Molecular FormulaC95H120F2N2O6
Molecular Weight1424.01 g/mol
Exact Mass1422.91
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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole
SMILESCc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2OC2CCCCO2)c1OCCCOc1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1OC1CCCCO1
InChIInChI=1S/C95H120F2N2O6/c1-58-44-66(96)54-74(72-46-64(94(21,22)56-88(3,4)5)52-80(86(72)104-82-30-25-27-40-100-82)98-76-48-60(90(9,10)11)32-36-68(76)69-37-33-61(49-77(69)98)91(12,13)14)84(58)102-42-29-43-103-85-59(2)45-67(97)55-75(85)73-47-65(95(23,24)57-89(6,7)8)53-81(87(73)105-83-31-26-28-41-101-83)99-78-50-62(92(15,16)17)34-38-70(78)71-39-35-63(51-79(71)99)93(18,19)20/h32-39,44-55,82-83H,25-31,40-43,56-57H2,1-24H3
InChIKeyLDBZUBMVXAIUGU-UHFFFAOYSA-N
XLogP26.39
TPSA65.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms105
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001424.01
LogP ≤ 526.39
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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole (CID 90259188) 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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole is Cc1cc(F)cc(-c2cc(C(C)(C)CC(C)(C)C)cc(-n3c4cc(C(C)(C)C)ccc4c4ccc(C(C)(C)C)cc43)c2OC2CCCCO2)c1OCCCOc1c(C)cc(F)cc1-c1cc(C(C)(C)CC(C)(C)C)cc(-n2c3cc(C(C)(C)C)ccc3c3ccc(C(C)(C)C)cc32)c1OC1CCCCO1.
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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole?
The InChIKey is LDBZUBMVXAIUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C95H120F2N2O6/c1-58-44-66(96)54-74(72-46-64(94(21,22)56-88(3,4)5)52-80(86(72)104-82-30-25-27-40-100-82)98-76-48-60(90(9,10)11)32-36-68(76)69-37-33-61(49-77(69)98)91(12,13)14)84(58)102-42-29-43-103-85-59(2)45-67(97)55-75(85)73-47-65(95(23,24)57-89(6,7)8)53-81(87(73)105-83-31-26-28-41-101-83)99-78-50-62(92(15,16)17)34-38-70(78)71-39-35-63(51-79(71)99)93(18,19)20/h32-39,44-55,82-83H,25-31,40-43,56-57H2,1-24H3.
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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole has a molecular weight of 1424.01 g/mol, XLogP of 26.39, 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-fluoro-6-methylphenoxy]propoxy]-5-fluoro-3-methylphenyl]-2-(oxan-2-yloxy)-5-(2,4,4-trimethylpentan-2-yl)phenyl]carbazole is sourced from PubChem (CID 90259188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).