2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol

C52H38F2N2O4 — CID 121391525

IUPAC2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol
SMILESCc1cc(-c2cc(F)ccc2OCCOc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H38F2N2O4/c1-31-25-41(51(57)47(27-31)55-43-15-7-3-11-35(43)36-12-4-8-16-44(36)55)39-29-33(53)19-21-49(39)59-23-24-60-50-22-20-34(54)30-40(50)42-26-32(2)28-48(52(42)58)56-45-17-9-5-13-37(45)38-14-6-10-18-46(38)56/h3-22,25-30,57-58H,23-24H2,1-2H3
InChIKeyYQMDWAXUYDZPMZ-UHFFFAOYSA-N
MW792.88 g/mol
LogP12.98
Rot. Bonds9

About 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol (PubChem CID 121391525) has the molecular formula C52H38F2N2O4 and a molecular weight of 792.88 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol
PubChem CID121391525
Molecular FormulaC52H38F2N2O4
Molecular Weight792.88 g/mol
Exact Mass792.28
IUPAC Name2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol
SMILESCc1cc(-c2cc(F)ccc2OCCOc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C52H38F2N2O4/c1-31-25-41(51(57)47(27-31)55-43-15-7-3-11-35(43)36-12-4-8-16-44(36)55)39-29-33(53)19-21-49(39)59-23-24-60-50-22-20-34(54)30-40(50)42-26-32(2)28-48(52(42)58)56-45-17-9-5-13-37(45)38-14-6-10-18-46(38)56/h3-22,25-30,57-58H,23-24H2,1-2H3
InChIKeyYQMDWAXUYDZPMZ-UHFFFAOYSA-N
XLogP12.98
TPSA68.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500792.88
LogP ≤ 512.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol (CID 121391525) is 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol is Cc1cc(-c2cc(F)ccc2OCCOc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol?
The InChIKey is YQMDWAXUYDZPMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H38F2N2O4/c1-31-25-41(51(57)47(27-31)55-43-15-7-3-11-35(43)36-12-4-8-16-44(36)55)39-29-33(53)19-21-49(39)59-23-24-60-50-22-20-34(54)30-40(50)42-26-32(2)28-48(52(42)58)56-45-17-9-5-13-37(45)38-14-6-10-18-46(38)56/h3-22,25-30,57-58H,23-24H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol has a molecular weight of 792.88 g/mol, XLogP of 12.98, 9 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-[2-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-methylphenol is sourced from PubChem (CID 121391525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).