2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol

C35H38FNO2 — CID 176816143

IUPAC2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol
SMILESCCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H38FNO2/c1-4-5-6-7-8-13-20-35(2,3)24-21-29(28-23-25(36)18-19-33(28)38)34(39)32(22-24)37-30-16-11-9-14-26(30)27-15-10-12-17-31(27)37/h9-12,14-19,21-23,38-39H,4-8,13,20H2,1-3H3
InChIKeyVCDJTVXCUPCGHP-UHFFFAOYSA-N
MW523.69 g/mol
LogP10.03
Rot. Bonds10

About 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol

2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol (PubChem CID 176816143) has the molecular formula C35H38FNO2 and a molecular weight of 523.69 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol
PubChem CID176816143
Molecular FormulaC35H38FNO2
Molecular Weight523.69 g/mol
Exact Mass523.29
IUPAC Name2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol
SMILESCCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2O)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H38FNO2/c1-4-5-6-7-8-13-20-35(2,3)24-21-29(28-23-25(36)18-19-33(28)38)34(39)32(22-24)37-30-16-11-9-14-26(30)27-15-10-12-17-31(27)37/h9-12,14-19,21-23,38-39H,4-8,13,20H2,1-3H3
InChIKeyVCDJTVXCUPCGHP-UHFFFAOYSA-N
XLogP10.03
TPSA45.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.69
LogP ≤ 510.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-carbazol-9-yl-6-[5-fluoro-2-(4-hydroxybutoxy)phenyl]-4-(2-methyldecan-2-yl)phenol
CID 166669181
4-tert-butyl-2-(3-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3-butylcarbazol-9-yl)-2-hydroxy-5-(2-methylheptan-2-yl)phenyl]-4-fluorophenoxy]-2,2-difluoropropoxy]-5-fluorophenyl]phenol
CID 170148460
2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-2-hydroxy-5-(2-methyldecan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2-methyldecan-2-yl)phenol;4-fluoro-1-[4-(4-fluoro-2-iodophenoxy)butoxy]-2-iodobenzene;9-[2-(methoxymethoxy)-3-methyl-5-(2-methyldecan-2-yl)phenyl]carbazole
CID 158465245
2-(2,7-ditert-butylcarbazol-9-yl)-6-(5-fluoro-2-hydroxyphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 138987021
2-carbazol-9-yl-6-[2-[4-[2-[3-carbazol-9-yl-5-[dimethyl(octyl)silyl]-2-hydroxyphenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-[dimethyl(octyl)silyl]phenol
CID 153485749
2-[3-(2,7-diethylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluoro-6-methylphenol
CID 164879218
carbanide;2-(3,6-ditert-butylcarbazol-9-yl)-6-[2-[2-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]ethoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol;zirconium(2+)
CID 140778892
4-tert-butyl-2-[2-[3-[2-(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)-4-methylphenoxy]propoxy]-5-methylphenyl]-6-carbazol-9-ylphenol
CID 122648865
2-[3,5-di(carbazol-9-yl)phenyl]-3,3-dimethyloctan-2-ol
CID 163785292
5-(2-methyloctan-2-yl)-2-naphthalen-1-ylphenol
CID 70513024
4-tert-butyl-2-[[2-[(5-tert-butyl-3-carbazol-9-yl-2-hydroxyphenyl)methoxy]phenoxy]methyl]-6-carbazol-9-ylphenol
CID 58076434
5-(2-methylheptan-2-yl)benzene-1,3-diol
CID 12713057

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol?
The IUPAC name of 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol (CID 176816143) is 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol.
What is the SMILES notation for 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol?
The canonical SMILES for 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol is CCCCCCCCC(C)(C)c1cc(-c2cc(F)ccc2O)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol?
The InChIKey is VCDJTVXCUPCGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FNO2/c1-4-5-6-7-8-13-20-35(2,3)24-21-29(28-23-25(36)18-19-33(28)38)34(39)32(22-24)37-30-16-11-9-14-26(30)27-15-10-12-17-31(27)37/h9-12,14-19,21-23,38-39H,4-8,13,20H2,1-3H3.
What are the key properties of 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol?
2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol has a molecular weight of 523.69 g/mol, XLogP of 10.03, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-(5-fluoro-2-hydroxyphenyl)-4-(2-methyldecan-2-yl)phenol is sourced from PubChem (CID 176816143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).