2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol

C68H80N2O4 — CID 138655106

IUPAC2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol
SMILESCCOCCOc1c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)cc(C(C)(C)C)cc1-c1cc(C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O
InChIInChI=1S/C68H80N2O4/c1-19-73-28-29-74-63-53(51-30-40(2)32-59(61(51)71)69-55-24-20-42(64(4,5)6)34-47(55)48-35-43(65(7,8)9)21-25-56(48)69)38-46(68(16,17)18)39-54(63)52-31-41(3)33-60(62(52)72)70-57-26-22-44(66(10,11)12)36-49(57)50-37-45(67(13,14)15)23-27-58(50)70/h20-27,30-39,71-72H,19,28-29H2,1-18H3
InChIKeyLIAHHSSKRLJSAC-UHFFFAOYSA-N
MW989.40 g/mol
LogP18.15
Rot. Bonds9

About 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol

2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol (PubChem CID 138655106) has the molecular formula C68H80N2O4 and a molecular weight of 989.40 g/mol. Its IUPAC name is 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol.

Molecular Properties

Compound Name2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol
PubChem CID138655106
Molecular FormulaC68H80N2O4
Molecular Weight989.40 g/mol
Exact Mass988.61
IUPAC Name2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol
SMILESCCOCCOc1c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)cc(C(C)(C)C)cc1-c1cc(C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O
InChIInChI=1S/C68H80N2O4/c1-19-73-28-29-74-63-53(51-30-40(2)32-59(61(51)71)69-55-24-20-42(64(4,5)6)34-47(55)48-35-43(65(7,8)9)21-25-56(48)69)38-46(68(16,17)18)39-54(63)52-31-41(3)33-60(62(52)72)70-57-26-22-44(66(10,11)12)36-49(57)50-37-45(67(13,14)15)23-27-58(50)70/h20-27,30-39,71-72H,19,28-29H2,1-18H3
InChIKeyLIAHHSSKRLJSAC-UHFFFAOYSA-N
XLogP18.15
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500989.40
LogP ≤ 518.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol with MolForge

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Related Compounds

2-[5-chloro-2-[3-[4-chloro-2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]propoxy]phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol
CID 166033725
2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[2-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenoxy]ethoxy]-5-fluoro-3-methylphenyl]-4-(2-methylbutan-2-yl)phenol
CID 157203006
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[6-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-3,4,5-trifluorophenoxy]butoxy]-2,3,4-trifluorophenyl]-4-methylphenol;hafnium
CID 158487209
carbanide;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-methylphenoxy]propoxy]-3-methylphenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol;hafnium
CID 58516577
4-tert-butyl-2-[2-[3-[2-(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)-4-methylphenoxy]propoxy]-5-methylphenyl]-6-carbazol-9-ylphenol
CID 122648865
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-(dimethylamino)butoxy]-5-methylphenyl]-4-methylphenol
CID 134225902
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-(2-ethoxyethoxy)-5-methylphenyl]-4-methylphenol;[3-carbazol-9-yl-2-(methoxymethoxy)-5-methylphenyl]boronic acid;1,3-dibromo-2-(2-ethoxyethoxy)-5-methylbenzene;1-methyliodanuidylpropane
CID 159545891
2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(2R)-4-[2-(2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 143133741
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[2-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;zirconium(2+)
CID 140778892
2-[2,7-bis(3,5-ditert-butylphenyl)carbazol-9-yl]-4-tert-butyl-6-(2-ethoxy-5-fluoro-3-methylphenyl)phenol
CID 140759565
2-(2,7-ditert-butylcarbazol-9-yl)-6-[4-[3-[[3-[3-(2,7-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-4-yl]oxy]propoxy]-1-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-yl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 140883403
2-(2,7-ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(2,7-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 121290068

Frequently Asked Questions

What is the IUPAC name of 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?
The IUPAC name of 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol (CID 138655106) is 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol.
What is the SMILES notation for 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?
The canonical SMILES for 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol is CCOCCOc1c(-c2cc(C)cc(-n3c4ccc(C(C)(C)C)cc4c4cc(C(C)(C)C)ccc43)c2O)cc(C(C)(C)C)cc1-c1cc(C)cc(-n2c3ccc(C(C)(C)C)cc3c3cc(C(C)(C)C)ccc32)c1O.
What is the InChIKey of 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?
The InChIKey is LIAHHSSKRLJSAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C68H80N2O4/c1-19-73-28-29-74-63-53(51-30-40(2)32-59(61(51)71)69-55-24-20-42(64(4,5)6)34-47(55)48-35-43(65(7,8)9)21-25-56(48)69)38-46(68(16,17)18)39-54(63)52-31-41(3)33-60(62(52)72)70-57-26-22-44(66(10,11)12)36-49(57)50-37-45(67(13,14)15)23-27-58(50)70/h20-27,30-39,71-72H,19,28-29H2,1-18H3.
What are the key properties of 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol?
2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol has a molecular weight of 989.40 g/mol, XLogP of 18.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-tert-butyl-3-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-2-(2-ethoxyethoxy)phenyl]-6-(3,6-ditert-butylcarbazol-9-yl)-4-methylphenol is sourced from PubChem (CID 138655106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).