2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol

C50H50F2N2O2 — CID 123260645

IUPAC2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol
SMILESCCC(CCCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O)CCN(C)Cc1cc(F)cc(CC2CCc3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C50H50F2N2O2/c1-3-33(13-12-15-36-28-40(52)31-48(50(36)56)54-46-21-10-8-19-44(46)45-20-9-11-22-47(45)54)25-26-53(2)32-38-30-39(51)29-37(49(38)55)27-35-24-23-34-14-4-5-16-41(34)43-18-7-6-17-42(35)43/h4-11,14,16-22,28-31,33,35,55-56H,3,12-13,15,23-27,32H2,1-2H3
InChIKeyQBEKWKNABPTZPL-UHFFFAOYSA-N
MW748.96 g/mol
LogP12.28
Rot. Bonds13

About 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol

2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol (PubChem CID 123260645) has the molecular formula C50H50F2N2O2 and a molecular weight of 748.96 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol
PubChem CID123260645
Molecular FormulaC50H50F2N2O2
Molecular Weight748.96 g/mol
Exact Mass748.38
IUPAC Name2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol
SMILESCCC(CCCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O)CCN(C)Cc1cc(F)cc(CC2CCc3ccccc3-c3ccccc32)c1O
InChIInChI=1S/C50H50F2N2O2/c1-3-33(13-12-15-36-28-40(52)31-48(50(36)56)54-46-21-10-8-19-44(46)45-20-9-11-22-47(45)54)25-26-53(2)32-38-30-39(51)29-37(49(38)55)27-35-24-23-34-14-4-5-16-41(34)43-18-7-6-17-42(35)43/h4-11,14,16-22,28-31,33,35,55-56H,3,12-13,15,23-27,32H2,1-2H3
InChIKeyQBEKWKNABPTZPL-UHFFFAOYSA-N
XLogP12.28
TPSA48.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500748.96
LogP ≤ 512.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol with MolForge

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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-Carbazol-9-yl-6-[[2-[(3-carbazol-9-yl-5-fluoro-2-hydroxyphenyl)methyl-methylamino]ethyl-methylamino]methyl]-4-fluorophenol
CID 89955082
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
2-Carbazol-9-yl-4-fluoro-6-[6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]-3-methylhexyl]phenol
CID 123345376
2-Carbazol-9-yl-4-fluoro-6-pentylphenol
CID 123478334
2,6-Ditert-butyl-4-[2-[3-[[4-[ethyl(2-hydroxyethyl)amino]-2-fluorophenyl]-[4-(1-hydroxypentan-3-ylidene)cyclohexa-2,5-dien-1-ylidene]methyl]-2-phenylindol-1-yl]ethyl]phenol
CID 130323430
2-Carbazol-9-yl-4-fluoro-6-methylphenol
CID 134172184
[4-[[1-[2-(3,5-ditert-butyl-4-hydroxyphenyl)ethyl]-2-phenylindol-3-yl]-[2-fluoro-4-[N-(2-hydroxyethyl)-2,4,6-trimethylanilino]phenyl]methylidene]cyclohexa-2,5-dien-1-ylidene]-(2-hydroxyethyl)-(2,4,6-trimethylphenyl)azanium
CID 137200913
2-(3,6-Ditert-butylcarbazol-9-yl)-6-(3,5-difluorophenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 141312031
2-[2,7-Bis(2,4,4-trimethylpentan-2-yl)carbazol-9-yl]-6-(3-fluoro-5-methylphenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 141509101
2-Carbazol-9-yl-6-(3-fluorophenyl)-4-methylphenol
CID 141763591

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol?
The IUPAC name of 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol (CID 123260645) is 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol?
The canonical SMILES for 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol is CCC(CCCc1cc(F)cc(-n2c3ccccc3c3ccccc32)c1O)CCN(C)Cc1cc(F)cc(CC2CCc3ccccc3-c3ccccc32)c1O.
What is the InChIKey of 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol?
The InChIKey is QBEKWKNABPTZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C50H50F2N2O2/c1-3-33(13-12-15-36-28-40(52)31-48(50(36)56)54-46-21-10-8-19-44(46)45-20-9-11-22-47(45)54)25-26-53(2)32-38-30-39(51)29-37(49(38)55)27-35-24-23-34-14-4-5-16-41(34)43-18-7-6-17-42(35)43/h4-11,14,16-22,28-31,33,35,55-56H,3,12-13,15,23-27,32H2,1-2H3.
What are the key properties of 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol?
2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol has a molecular weight of 748.96 g/mol, XLogP of 12.28, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[4-ethyl-6-[[5-fluoro-2-hydroxy-3-(8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,11,13-hexaenylmethyl)phenyl]methyl-methylamino]hexyl]-4-fluorophenol is sourced from PubChem (CID 123260645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).