2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol

C35H38FNO — CID 165147384

IUPAC2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol
SMILESCCCCCCCCC(C)(C)c1cc(-c2cccc(F)c2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H38FNO/c1-4-5-6-7-8-13-21-35(2,3)26-23-30(25-15-14-16-27(36)22-25)34(38)33(24-26)37-31-19-11-9-17-28(31)29-18-10-12-20-32(29)37/h9-12,14-20,22-24,38H,4-8,13,21H2,1-3H3
InChIKeyZVZCXKAXDJWHEN-UHFFFAOYSA-N
MW507.69 g/mol
LogP10.32
Rot. Bonds10

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

2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol (PubChem CID 165147384) has the molecular formula C35H38FNO and a molecular weight of 507.69 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol
PubChem CID165147384
Molecular FormulaC35H38FNO
Molecular Weight507.69 g/mol
Exact Mass507.29
IUPAC Name2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol
SMILESCCCCCCCCC(C)(C)c1cc(-c2cccc(F)c2)c(O)c(-n2c3ccccc3c3ccccc32)c1
InChIInChI=1S/C35H38FNO/c1-4-5-6-7-8-13-21-35(2,3)26-23-30(25-15-14-16-27(36)22-25)34(38)33(24-26)37-31-19-11-9-17-28(31)29-18-10-12-20-32(29)37/h9-12,14-20,22-24,38H,4-8,13,21H2,1-3H3
InChIKeyZVZCXKAXDJWHEN-UHFFFAOYSA-N
XLogP10.32
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.69
LogP ≤ 510.32
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

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-Butyl-3,6-bis(4-hydroxyphenyl) carbazole
CID 70920343
Mo(NC6F5)(CHCMe2Ph)(OTTBT)(Cl)(PyrMe2)
CID 137327208
2,6-ditert-butyl-4-[(S)-[4-(dimethylamino)phenyl]-(2-methyl-1H-indol-3-yl)methyl]phenol
CID 41141174
5-(3-Carbazol-9-yl-2-fluorophenyl)-2-(2-fluoro-4-methylcyclohexa-1,5-dien-1-yl)-4-phosphanylphenol
CID 68384043
2-(9H-Carbazol-9-yl)-4-fluorophenol
CID 86710449
2-(3,6-Ditert-butylcarbazol-9-yl)-6-[2-[4-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4-fluorophenoxy]butoxy]-5-fluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 89611418
2-Carbazol-9-yl-6-[[2-[(3-carbazol-9-yl-5-fluoro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4-fluorophenol
CID 89955082
[1,1a(2)-Biphenyl]-2-ol, 2a(2),2a(2)a(2)a(2)-[1,3-propanediylbis(oxy)]bis[3-[2,7-bis(1,1-dimethylethyl)-9H-carbazol-9-yl]-5a(2)-fluoro-3a(2)-methyl-5-(1,1,3,3-tetramethylbutyl)-
CID 90259163
1,3-Bis[4-(3,6-ditert-butylcarbazol-9-yl)-2-(3-fluorophenyl)-3-hydroxy-6-(2,4,4-trimethylpentan-2-yl)phenyl]butane-1,3-diol
CID 90286500

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol?
The IUPAC name of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol (CID 165147384) is 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol.
What is the SMILES notation for 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol?
The canonical SMILES for 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol is CCCCCCCCC(C)(C)c1cc(-c2cccc(F)c2)c(O)c(-n2c3ccccc3c3ccccc32)c1.
What is the InChIKey of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol?
The InChIKey is ZVZCXKAXDJWHEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H38FNO/c1-4-5-6-7-8-13-21-35(2,3)26-23-30(25-15-14-16-27(36)22-25)34(38)33(24-26)37-31-19-11-9-17-28(31)29-18-10-12-20-32(29)37/h9-12,14-20,22-24,38H,4-8,13,21H2,1-3H3.
What are the key properties of 2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol?
2-carbazol-9-yl-6-(3-fluorophenyl)-4-(2-methyldecan-2-yl)phenol has a molecular weight of 507.69 g/mol, XLogP of 10.32, 10 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-(2-methyldecan-2-yl)phenol is sourced from PubChem (CID 165147384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).