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

C56H46N2O4 — CID 21030303

IUPAC2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC2CCCC(Oc3ccccc3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)C2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C56H46N2O4/c1-35-30-45(55(59)51(32-35)57-47-24-9-3-18-39(47)40-19-4-10-25-48(40)57)43-22-7-13-28-53(43)61-37-16-15-17-38(34-37)62-54-29-14-8-23-44(54)46-31-36(2)33-52(56(46)60)58-49-26-11-5-20-41(49)42-21-6-12-27-50(42)58/h3-14,18-33,37-38,59-60H,15-17,34H2,1-2H3
InChIKeyYWXZYINRMKCKAD-UHFFFAOYSA-N
MW810.99 g/mol
LogP14.01
Rot. Bonds8

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

2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol (PubChem CID 21030303) has the molecular formula C56H46N2O4 and a molecular weight of 810.99 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol
PubChem CID21030303
Molecular FormulaC56H46N2O4
Molecular Weight810.99 g/mol
Exact Mass810.35
IUPAC Name2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC2CCCC(Oc3ccccc3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)C2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C56H46N2O4/c1-35-30-45(55(59)51(32-35)57-47-24-9-3-18-39(47)40-19-4-10-25-48(40)57)43-22-7-13-28-53(43)61-37-16-15-17-38(34-37)62-54-29-14-8-23-44(54)46-31-36(2)33-52(56(46)60)58-49-26-11-5-20-41(49)42-21-6-12-27-50(42)58/h3-14,18-33,37-38,59-60H,15-17,34H2,1-2H3
InChIKeyYWXZYINRMKCKAD-UHFFFAOYSA-N
XLogP14.01
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500810.99
LogP ≤ 514.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclopentyl]oxyphenyl]-4-methylphenol
CID 21030278
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
2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]propoxy]phenyl]-4-methylphenol;hafnium(4+);chloride
CID 24826473
carbanide;2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxyphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;hafnium
CID 164801993
2-carbazol-9-yl-6-[2-[(2R)-4-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]pentan-2-yl]oxyphenyl]-4-methylphenol
CID 58649310
carbanide;2-(2,3-dihydrocarbazol-9-yl)-6-[2-[[2-[[2-[3-(2,3-dihydrocarbazol-9-yl)-2-hydroxy-5-methylphenyl]phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol;zirconium(2+)
CID 58276179
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)-5-methyl-2-(2-methylsulfanylethylsulfanyl)phenyl]-4-methylphenol
CID 134226012
2-carbazol-9-yl-6-[2-[4-[1-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)naphthalen-2-yl]oxybutoxy]naphthalen-1-yl]-4-methylphenol
CID 20749787
2-(1-adamantyl)-6-[2-[(2R,4S)-4-[2-[3-(1-adamantyl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]phenoxy]pentan-2-yl]oxyphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;4-tert-butyl-2-[2-[(1S,3R)-3-[2-[5-tert-butyl-3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxyphenyl]-4-fluorophenoxy]cyclohexyl]oxy-5-fluorophenyl]-6-(3,6-ditert-butylcarbazol-9-yl)phenol;carbanide;2-carbazol-9-yl-6-[2-[(2S,5R)-5-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]hexan-2-yl]oxy-5-fluorophenyl]-4-methylphenol;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[(1S)-1-[[(1S)-1-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-methoxyphenoxy]ethyl]-dimethylsilyl]ethoxy]-5-methylphenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;tetrakis(zirconium(2+))
CID 158852154
2-carbazol-9-yl-6-[2-[(2S,4S)-4-[[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-pyridinyl]oxy]pentan-2-yl]oxy-3-pyridinyl]-4-methylphenol
CID 147481920
2-carbazol-9-yl-6-[3-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-2-[4-dimethylphosphanylbutyl(methyl)phosphanyl]-5-methylphenyl]-4-methylphenol
CID 134225963

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol (CID 21030303) is 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol is Cc1cc(-c2ccccc2OC2CCCC(Oc3ccccc3-c3cc(C)cc(-n4c5ccccc5c5ccccc54)c3O)C2)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol?
The InChIKey is YWXZYINRMKCKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C56H46N2O4/c1-35-30-45(55(59)51(32-35)57-47-24-9-3-18-39(47)40-19-4-10-25-48(40)57)43-22-7-13-28-53(43)61-37-16-15-17-38(34-37)62-54-29-14-8-23-44(54)46-31-36(2)33-52(56(46)60)58-49-26-11-5-20-41(49)42-21-6-12-27-50(42)58/h3-14,18-33,37-38,59-60H,15-17,34H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol has a molecular weight of 810.99 g/mol, XLogP of 14.01, 8 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-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]cyclohexyl]oxyphenyl]-4-methylphenol is sourced from PubChem (CID 21030303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).