4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol

C52H48N2O4 — CID 58076434

IUPAC4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol
SMILESCC(C)(C)c1cc(COc2ccccc2OCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H48N2O4/c1-51(2,3)35-27-33(49(55)45(29-35)53-41-21-11-7-17-37(41)38-18-8-12-22-42(38)53)31-57-47-25-15-16-26-48(47)58-32-34-28-36(52(4,5)6)30-46(50(34)56)54-43-23-13-9-19-39(43)40-20-10-14-24-44(40)54/h7-30,55-56H,31-32H2,1-6H3
InChIKeyVXPHDKSBLJEBCO-UHFFFAOYSA-N
MW764.97 g/mol
LogP13.05
Rot. Bonds8

About 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol

4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol (PubChem CID 58076434) has the molecular formula C52H48N2O4 and a molecular weight of 764.97 g/mol. Its IUPAC name is 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol.

Molecular Properties

Compound Name4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol
PubChem CID58076434
Molecular FormulaC52H48N2O4
Molecular Weight764.97 g/mol
Exact Mass764.36
IUPAC Name4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol
SMILESCC(C)(C)c1cc(COc2ccccc2OCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H48N2O4/c1-51(2,3)35-27-33(49(55)45(29-35)53-41-21-11-7-17-37(41)38-18-8-12-22-42(38)53)31-57-47-25-15-16-26-48(47)58-32-34-28-36(52(4,5)6)30-46(50(34)56)54-43-23-13-9-19-39(43)40-20-10-14-24-44(40)54/h7-30,55-56H,31-32H2,1-6H3
InChIKeyVXPHDKSBLJEBCO-UHFFFAOYSA-N
XLogP13.05
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500764.97
LogP ≤ 513.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol?
The IUPAC name of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol (CID 58076434) is 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol.
What is the SMILES notation for 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol?
The canonical SMILES for 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol is CC(C)(C)c1cc(COc2ccccc2OCc2cc(C(C)(C)C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol?
The InChIKey is VXPHDKSBLJEBCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H48N2O4/c1-51(2,3)35-27-33(49(55)45(29-35)53-41-21-11-7-17-37(41)38-18-8-12-22-42(38)53)31-57-47-25-15-16-26-48(47)58-32-34-28-36(52(4,5)6)30-46(50(34)56)54-43-23-13-9-19-39(43)40-20-10-14-24-44(40)54/h7-30,55-56H,31-32H2,1-6H3.
What are the key properties of 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol?
4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol has a molecular weight of 764.97 g/mol, XLogP of 13.05, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol is sourced from PubChem (CID 58076434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).