2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol

C58H50N2O4 — CID 58219174

IUPAC2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC[C@@H]2CCCC[C@H]2COc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H50N2O4/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60/h5-16,19-34,39-40,61-62H,3-4,17-18,35-36H2,1-2H3/t39-,40-/m0/s1
InChIKeyDMAGFMYFBVTRIA-ZAQUEYBZSA-N
MW839.05 g/mol
LogP14.51
Rot. Bonds10

About 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol (PubChem CID 58219174) has the molecular formula C58H50N2O4 and a molecular weight of 839.05 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol
PubChem CID58219174
Molecular FormulaC58H50N2O4
Molecular Weight839.05 g/mol
Exact Mass838.38
IUPAC Name2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol
SMILESCc1cc(-c2ccccc2OC[C@@H]2CCCC[C@H]2COc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C58H50N2O4/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60/h5-16,19-34,39-40,61-62H,3-4,17-18,35-36H2,1-2H3/t39-,40-/m0/s1
InChIKeyDMAGFMYFBVTRIA-ZAQUEYBZSA-N
XLogP14.51
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500839.05
LogP ≤ 514.51
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-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol (CID 58219174) is 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol is Cc1cc(-c2ccccc2OC[C@@H]2CCCC[C@H]2COc2ccccc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol?
The InChIKey is DMAGFMYFBVTRIA-ZAQUEYBZSA-N. The full InChI is InChI=1S/C58H50N2O4/c1-37-31-47(57(61)53(33-37)59-49-25-11-5-19-41(49)42-20-6-12-26-50(42)59)45-23-9-15-29-55(45)63-35-39-17-3-4-18-40(39)36-64-56-30-16-10-24-46(56)48-32-38(2)34-54(58(48)62)60-51-27-13-7-21-43(51)44-22-8-14-28-52(44)60/h5-16,19-34,39-40,61-62H,3-4,17-18,35-36H2,1-2H3/t39-,40-/m0/s1.
What are the key properties of 2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol has a molecular weight of 839.05 g/mol, XLogP of 14.51, 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-[[(1R,2R)-2-[[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)phenoxy]methyl]cyclohexyl]methoxy]phenyl]-4-methylphenol is sourced from PubChem (CID 58219174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).