2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol

C59H54F2N2O — CID 162366487

IUPAC2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol
SMILESCc1cc(-c2cc(F)ccc2CC(Cc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)(C(C)C)C(C)C)cc(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C59H54F2N2O/c1-36(2)59(37(3)4,34-40-23-25-43(60)32-50(40)42-27-38(5)28-45(31-42)62-53-19-11-7-15-46(53)47-16-8-12-20-54(47)62)35-41-24-26-44(61)33-51(41)52-29-39(6)30-57(58(52)64)63-55-21-13-9-17-48(55)49-18-10-14-22-56(49)63/h7-11,13-19,21-33,36-37,64H,12,20,34-35H2,1-6H3
InChIKeyDXMJJVAYBZLRFD-UHFFFAOYSA-N
MW845.09 g/mol
LogP15.71
Rot. Bonds10

About 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol

2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol (PubChem CID 162366487) has the molecular formula C59H54F2N2O and a molecular weight of 845.09 g/mol. Its IUPAC name is 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol.

Molecular Properties

Compound Name2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol
PubChem CID162366487
Molecular FormulaC59H54F2N2O
Molecular Weight845.09 g/mol
Exact Mass844.42
IUPAC Name2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol
SMILESCc1cc(-c2cc(F)ccc2CC(Cc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)(C(C)C)C(C)C)cc(-n2c3c(c4ccccc42)C=CCC3)c1
InChIInChI=1S/C59H54F2N2O/c1-36(2)59(37(3)4,34-40-23-25-43(60)32-50(40)42-27-38(5)28-45(31-42)62-53-19-11-7-15-46(53)47-16-8-12-20-54(47)62)35-41-24-26-44(61)33-51(41)52-29-39(6)30-57(58(52)64)63-55-21-13-9-17-48(55)49-18-10-14-22-56(49)63/h7-11,13-19,21-33,36-37,64H,12,20,34-35H2,1-6H3
InChIKeyDXMJJVAYBZLRFD-UHFFFAOYSA-N
XLogP15.71
TPSA30.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500845.09
LogP ≤ 515.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol with MolForge

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Related Compounds

rel-2a(2),2a(2)a(2)a(2)-[(1R,2R)-1,2-Cyclohexanediylbis(methyleneoxy)]bis[3-(9H-carbazol-9-yl)-5-methyl[1,1a(2)-biphenyl]-2-ol
CID 58219174
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-[2-(3-carbazol-9-yl-2-hydroxy-5-methylphenyl)-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-methylphenol
CID 20749780
2-(3,6-Ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-(2,4,4-trimethylpentan-2-yl)phenyl]-4,6-difluorophenoxy]propoxy]-3,5-difluorophenyl]-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 58516562
2-[4-(2-Amino-5-carbazol-9-ylphenyl)-2,5-difluorophenyl]-4-carbazol-9-ylphenol
CID 59146905
2-[5-(2-Amino-5-carbazol-9-ylphenyl)-2,4-difluorophenyl]-4-carbazol-9-ylphenol
CID 59147031
2-[2-(2-Amino-5-carbazol-9-ylphenyl)-3,6-difluorophenyl]-4-carbazol-9-ylphenol
CID 59147285
2-(3-Carbazol-9-yl-2-fluoro-5,6-dimethylcyclohexa-1,3-dien-1-yl)-5-(3-carbazol-9-yl-2-fluorophenyl)benzene-1,4-diol
CID 68383844
2-(3,6-Ditert-butylcarbazol-9-yl)-3-[3-[2-(3,6-ditert-butylcarbazol-9-yl)-4-(3-fluorophenyl)-3-hydroxy-6-(2,4,4-trimethylpentan-2-yl)phenoxy]butoxy]-6-(3-fluorophenyl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87148181
2-(3,6-Ditert-butylcarbazol-9-yl)-6-[2-[3-[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 87148326
2-(3,6-Ditert-butylcarbazol-9-yl)-6-[2-[3-[2-[3-(3,6-ditert-butylcarbazol-9-yl)-2-hydroxy-5-methylphenyl]-4-fluorophenoxy]propoxy]-5-fluorophenyl]-4-methylphenol
CID 89607429

Frequently Asked Questions

What is the IUPAC name of 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol?
The IUPAC name of 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol (CID 162366487) is 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol.
What is the SMILES notation for 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol?
The canonical SMILES for 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol is Cc1cc(-c2cc(F)ccc2CC(Cc2ccc(F)cc2-c2cc(C)cc(-n3c4ccccc4c4ccccc43)c2O)(C(C)C)C(C)C)cc(-n2c3c(c4ccccc42)C=CCC3)c1.
What is the InChIKey of 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol?
The InChIKey is DXMJJVAYBZLRFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C59H54F2N2O/c1-36(2)59(37(3)4,34-40-23-25-43(60)32-50(40)42-27-38(5)28-45(31-42)62-53-19-11-7-15-46(53)47-16-8-12-20-54(47)62)35-41-24-26-44(61)33-51(41)52-29-39(6)30-57(58(52)64)63-55-21-13-9-17-48(55)49-18-10-14-22-56(49)63/h7-11,13-19,21-33,36-37,64H,12,20,34-35H2,1-6H3.
What are the key properties of 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol?
2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol has a molecular weight of 845.09 g/mol, XLogP of 15.71, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carbazol-9-yl-6-[2-[2-[[2-[3-(1,2-dihydrocarbazol-9-yl)-5-methylphenyl]-4-fluorophenyl]methyl]-3-methyl-2-propan-2-ylbutyl]-5-fluorophenyl]-4-methylphenol is sourced from PubChem (CID 162366487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).