2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol

C57H50N2O4 — CID 21030294

IUPAC2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC(C)(C)CC(C)(C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C57H50N2O4/c1-36-31-44(54(60)50(33-36)58-46-25-13-7-19-38(46)39-20-8-14-26-47(39)58)42-23-11-17-29-52(42)62-56(3,4)35-57(5,6)63-53-30-18-12-24-43(53)45-32-37(2)34-51(55(45)61)59-48-27-15-9-21-40(48)41-22-10-16-28-49(41)59/h7-34,60-61H,35H2,1-6H3
InChIKeyFGUSTDZWAJTQFM-UHFFFAOYSA-N
MW827.04 g/mol
LogP14.65
Rot. Bonds10

About 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol (PubChem CID 21030294) has the molecular formula C57H50N2O4 and a molecular weight of 827.04 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol
PubChem CID21030294
Molecular FormulaC57H50N2O4
Molecular Weight827.04 g/mol
Exact Mass826.38
IUPAC Name2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC(C)(C)CC(C)(C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C57H50N2O4/c1-36-31-44(54(60)50(33-36)58-46-25-13-7-19-38(46)39-20-8-14-26-47(39)58)42-23-11-17-29-52(42)62-56(3,4)35-57(5,6)63-53-30-18-12-24-43(53)45-32-37(2)34-51(55(45)61)59-48-27-15-9-21-40(48)41-22-10-16-28-49(41)59/h7-34,60-61H,35H2,1-6H3
InChIKeyFGUSTDZWAJTQFM-UHFFFAOYSA-N
XLogP14.65
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms63
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500827.04
LogP ≤ 514.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol (CID 21030294) is 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol is Cc1cc(-c2ccccc2OC(C)(C)CC(C)(C)Oc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol?
The InChIKey is FGUSTDZWAJTQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H50N2O4/c1-36-31-44(54(60)50(33-36)58-46-25-13-7-19-38(46)39-20-8-14-26-47(39)58)42-23-11-17-29-52(42)62-56(3,4)35-57(5,6)63-53-30-18-12-24-43(53)45-32-37(2)34-51(55(45)61)59-48-27-15-9-21-40(48)41-22-10-16-28-49(41)59/h7-34,60-61H,35H2,1-6H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol has a molecular weight of 827.04 g/mol, XLogP of 14.65, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]-2,4-dimethylpentan-2-yl]oxyphenyl]-4-methylphenol is sourced from PubChem (CID 21030294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).