2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol

C32H32FNO — CID 153407038

IUPAC2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol
SMILESCCCCCCCCc1cc(-c2cccc(F)c2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C32H32FNO/c1-2-3-4-5-6-7-13-23-20-28(24-14-12-15-25(33)22-24)32(35)31(21-23)34-29-18-10-8-16-26(29)27-17-9-11-19-30(27)34/h8-12,14-22,35H,2-7,13H2,1H3
InChIKeyQUNQASGAZJSIFK-UHFFFAOYSA-N
MW465.61 g/mol
LogP9.20
Rot. Bonds9

About 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol

2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol (PubChem CID 153407038) has the molecular formula C32H32FNO and a molecular weight of 465.61 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol
PubChem CID153407038
Molecular FormulaC32H32FNO
Molecular Weight465.61 g/mol
Exact Mass465.25
IUPAC Name2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol
SMILESCCCCCCCCc1cc(-c2cccc(F)c2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C32H32FNO/c1-2-3-4-5-6-7-13-23-20-28(24-14-12-15-25(33)22-24)32(35)31(21-23)34-29-18-10-8-16-26(29)27-17-9-11-19-30(27)34/h8-12,14-22,35H,2-7,13H2,1H3
InChIKeyQUNQASGAZJSIFK-UHFFFAOYSA-N
XLogP9.20
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.61
LogP ≤ 59.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Ortho Betaine
CID 364982
3-(2,7-di-tert-butyl-9H-carbazol9-yl)-5'-fluoro-3'-methyl-5-(2,4,4trimethylpentan-2-yl)-[1,1'-biphenyl]2,2'-diol
CID 123572932
3-(2,7-di-tert-butyl-9H-carbazol-9-yl)5'-fluoro-5-(2,4,4-trimethylpentan-2-yl)[1,1'-biphenyl]-2,2'-diol
CID 138987021
2-amino-4-(2,3,4,9-tetrahydro-1H-carbazol-1-yl)phenol
CID 396623
9-(4-Fluorophenyl)carbazol-4-ol
CID 132527668
9-Butyl-3,6-bis(4-hydroxyphenyl) carbazole
CID 70920343
4-(5-fluoro-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
CID 13938622
4-(6-fluoro-3-methyl-1H-indol-2-yl)-2,6-dimethylphenol
CID 13938627
4-fluoro-2-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
CID 19689621
2-fluoro-6-[(E)-2-(1-methylindol-2-yl)ethenyl]phenol
CID 19689622
2-Carbazol-9-yl-6-[2-[3-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-methylphenol
CID 20749780
2-[5-(2-Amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol
CID 59147031

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol?
The IUPAC name of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol (CID 153407038) is 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol is CCCCCCCCc1cc(-c2cccc(F)c2)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol?
The InChIKey is QUNQASGAZJSIFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H32FNO/c1-2-3-4-5-6-7-13-23-20-28(24-14-12-15-25(33)22-24)32(35)31(21-23)34-29-18-10-8-16-26(29)27-17-9-11-19-30(27)34/h8-12,14-22,35H,2-7,13H2,1H3.
What are the key properties of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol?
2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol has a molecular weight of 465.61 g/mol, XLogP of 9.20, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-(3-fluorophenyl)-4-octylphenol is sourced from PubChem (CID 153407038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).